smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2cnc(-c3ccccc3)o2)cc1C ZINC000000206578 178328785 /nfs/dbraw/zinc/32/87/85/178328785.db2.gz YJHVKWSITCBKGK-UHFFFAOYSA-N 0 0 249.313 4.625 20 0 BJADRN CC(C)c1ccc(CNc2ccc(F)cc2)cc1 ZINC000000498821 167599610 /nfs/dbraw/zinc/59/96/10/167599610.db2.gz GGWOCABBRYNJEJ-UHFFFAOYSA-N 0 0 243.325 4.561 20 0 BJADRN CCc1ccc(NCc2ccc(Cl)cc2)cc1 ZINC000000517089 386330550 /nfs/dbraw/zinc/33/05/50/386330550.db2.gz HSRYYHPKJNHVLN-UHFFFAOYSA-N 0 0 245.753 4.515 20 0 BJADRN c1cc(-c2ccc3ccccc3c2)cs1 ZINC000002392437 538111214 /nfs/dbraw/zinc/11/12/14/538111214.db2.gz AMTMQMBYUPFYOH-UHFFFAOYSA-N 0 0 210.301 4.568 20 0 BJADRN CCCCc1ccc2cc(C)c(C)cc2c1 ZINC000002539125 342834573 /nfs/dbraw/zinc/83/45/73/342834573.db2.gz YMMIQATXLXCOPJ-UHFFFAOYSA-N 0 0 212.336 4.799 20 0 BJADRN c1csc(CNc2ccc3ccccc3c2)c1 ZINC000003033241 342729747 /nfs/dbraw/zinc/72/97/47/342729747.db2.gz JUSXWQZEJLGOTK-UHFFFAOYSA-N 0 0 239.343 4.513 20 0 BJADRN C[C@H](Sc1ccccc1)c1ccccc1 ZINC000003130224 363351525 /nfs/dbraw/zinc/35/15/25/363351525.db2.gz XVVPHBZLSYKWQU-LBPRGKRZSA-N 0 0 214.333 4.540 20 0 BJADRN C[C@@H](Sc1ccccc1)c1ccccc1 ZINC000003130225 363351307 /nfs/dbraw/zinc/35/13/07/363351307.db2.gz XVVPHBZLSYKWQU-GFCCVEGCSA-N 0 0 214.333 4.540 20 0 BJADRN Fc1cccc(/C=C/c2ccc3ccccc3n2)c1 ZINC000005127925 518196089 /nfs/dbraw/zinc/19/60/89/518196089.db2.gz BUQBFCOAIRWJIB-CSKARUKUSA-N 0 0 249.288 4.544 20 0 BJADRN CC(C)C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000005522985 342765489 /nfs/dbraw/zinc/76/54/89/342765489.db2.gz CYFUZFXWSLEUHP-UHFFFAOYSA-N 0 0 247.382 4.528 20 0 BJADRN CCCCCC(=O)Nc1c(C)cccc1C(C)C ZINC000006040081 351391333 /nfs/dbraw/zinc/39/13/33/351391333.db2.gz GGWVJNCZDZIYQG-UHFFFAOYSA-N 0 0 247.382 4.637 20 0 BJADRN Cc1cccc(NCc2ccc(Cl)cc2)c1C ZINC000006632447 179150730 /nfs/dbraw/zinc/15/07/30/179150730.db2.gz JPVPWFJDEUJKTN-UHFFFAOYSA-N 0 0 245.753 4.569 20 0 BJADRN CCc1ccc(NCc2cccc(Cl)c2)cc1 ZINC000006871009 388528330 /nfs/dbraw/zinc/52/83/30/388528330.db2.gz YNTAFBNMHYISAG-UHFFFAOYSA-N 0 0 245.753 4.515 20 0 BJADRN CCc1ccccc1NCc1cccc(Cl)c1 ZINC000006871099 384168600 /nfs/dbraw/zinc/16/86/00/384168600.db2.gz QNWNIBUAACSJJZ-UHFFFAOYSA-N 0 0 245.753 4.515 20 0 BJADRN Cc1cc(C)cc(NCc2cccc(Cl)c2)c1 ZINC000007278111 363107510 /nfs/dbraw/zinc/10/75/10/363107510.db2.gz VCFLBXLMATVDFL-UHFFFAOYSA-N 0 0 245.753 4.569 20 0 BJADRN Cc1ccc(NCc2cccc(Cl)c2)c(C)c1 ZINC000008410630 344187445 /nfs/dbraw/zinc/18/74/45/344187445.db2.gz ITDSNCGYOBZPJA-UHFFFAOYSA-N 0 0 245.753 4.569 20 0 BJADRN Cc1ccc(C)c(NCc2cccc(Cl)c2)c1 ZINC000008410999 384849519 /nfs/dbraw/zinc/84/95/19/384849519.db2.gz UGRPKGDMUJGISA-UHFFFAOYSA-N 0 0 245.753 4.569 20 0 BJADRN Cc1ccc(NCc2cccc(Cl)c2)cc1C ZINC000008412833 344190030 /nfs/dbraw/zinc/19/00/30/344190030.db2.gz KJCMVVBKLMZDJH-UHFFFAOYSA-N 0 0 245.753 4.569 20 0 BJADRN Cc1cccc(C)c1NCc1cccc(Cl)c1 ZINC000008415270 179043323 /nfs/dbraw/zinc/04/33/23/179043323.db2.gz ALQGYCWFXFSICU-UHFFFAOYSA-N 0 0 245.753 4.569 20 0 BJADRN Cc1ccc(NCc2ccc(Cl)cc2)c(C)c1 ZINC000008701817 353698467 /nfs/dbraw/zinc/69/84/67/353698467.db2.gz APSFPTYFVUTEEA-UHFFFAOYSA-N 0 0 245.753 4.569 20 0 BJADRN CCCc1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000019230698 712625478 /nfs/dbraw/zinc/62/54/78/712625478.db2.gz BCCODIJCOUKRMB-AWEZNQCLSA-N 0 0 239.362 4.812 20 0 BJADRN CCCc1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000019230699 712625563 /nfs/dbraw/zinc/62/55/63/712625563.db2.gz BCCODIJCOUKRMB-CQSZACIVSA-N 0 0 239.362 4.812 20 0 BJADRN CC[C@@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000019232009 170915775 /nfs/dbraw/zinc/91/57/75/170915775.db2.gz WIMKRDDLNMQKLJ-OAHLLOKOSA-N 0 0 245.753 4.903 20 0 BJADRN CC[C@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000019232010 347196166 /nfs/dbraw/zinc/19/61/66/347196166.db2.gz WIMKRDDLNMQKLJ-HNNXBMFYSA-N 0 0 245.753 4.903 20 0 BJADRN CC[C@@H](Nc1cccc(C)c1)c1ccccc1 ZINC000019877098 347302974 /nfs/dbraw/zinc/30/29/74/347302974.db2.gz HEWODCJIHQBHTO-MRXNPFEDSA-N 0 0 225.335 4.558 20 0 BJADRN CC[C@H](Nc1cccc(C)c1)c1ccccc1 ZINC000019877099 347302713 /nfs/dbraw/zinc/30/27/13/347302713.db2.gz HEWODCJIHQBHTO-INIZCTEOSA-N 0 0 225.335 4.558 20 0 BJADRN Cc1ccc([C@@H](C)Nc2cccc(C)c2)s1 ZINC000019877326 179156775 /nfs/dbraw/zinc/15/67/75/179156775.db2.gz DKVHSZYJENNEKS-GFCCVEGCSA-N 0 0 231.364 4.538 20 0 BJADRN Cc1ccc([C@H](C)Nc2cccc(C)c2)s1 ZINC000019877327 179152735 /nfs/dbraw/zinc/15/27/35/179152735.db2.gz DKVHSZYJENNEKS-LBPRGKRZSA-N 0 0 231.364 4.538 20 0 BJADRN Cc1ccc(N[C@H](C)c2cccs2)c(C)c1 ZINC000019877428 347305293 /nfs/dbraw/zinc/30/52/93/347305293.db2.gz BTZKHWRSXRAPTO-GFCCVEGCSA-N 0 0 231.364 4.538 20 0 BJADRN Cc1ccc(N[C@@H](C)c2cccs2)c(C)c1 ZINC000019877429 347305342 /nfs/dbraw/zinc/30/53/42/347305342.db2.gz BTZKHWRSXRAPTO-LBPRGKRZSA-N 0 0 231.364 4.538 20 0 BJADRN C[C@@H](Nc1ccccc1)c1cc2ccccc2o1 ZINC000019879629 347303810 /nfs/dbraw/zinc/30/38/10/347303810.db2.gz PCVCRLDWNLDJGI-GFCCVEGCSA-N 0 0 237.302 4.606 20 0 BJADRN C[C@H](Nc1ccccc1)c1cc2ccccc2o1 ZINC000019879630 347303879 /nfs/dbraw/zinc/30/38/79/347303879.db2.gz PCVCRLDWNLDJGI-LBPRGKRZSA-N 0 0 237.302 4.606 20 0 BJADRN CSc1cccc(N[C@@H](C)c2ccccc2)c1 ZINC000019900554 175581491 /nfs/dbraw/zinc/58/14/91/175581491.db2.gz UQZZBBDMGAZJQX-LBPRGKRZSA-N 0 0 243.375 4.582 20 0 BJADRN CSc1cccc(N[C@H](C)c2ccccc2)c1 ZINC000019900555 347310898 /nfs/dbraw/zinc/31/08/98/347310898.db2.gz UQZZBBDMGAZJQX-GFCCVEGCSA-N 0 0 243.375 4.582 20 0 BJADRN CSc1cccc(N[C@@H](C)c2cccs2)c1 ZINC000019900580 175581444 /nfs/dbraw/zinc/58/14/44/175581444.db2.gz YECKGJIGTLLEHO-JTQLQIEISA-N 0 0 249.404 4.643 20 0 BJADRN CSc1cccc(N[C@H](C)c2cccs2)c1 ZINC000019900581 347310767 /nfs/dbraw/zinc/31/07/67/347310767.db2.gz YECKGJIGTLLEHO-SNVBAGLBSA-N 0 0 249.404 4.643 20 0 BJADRN c1cc(CNc2cccc3ccccc32)cs1 ZINC000019900817 385186838 /nfs/dbraw/zinc/18/68/38/385186838.db2.gz QKPQUXIOGIDRDZ-UHFFFAOYSA-N 0 0 239.343 4.513 20 0 BJADRN C[C@@H](Nc1cccc2ccccc21)c1ccco1 ZINC000019900859 347311115 /nfs/dbraw/zinc/31/11/15/347311115.db2.gz BPWOUXGVKJXIQH-GFCCVEGCSA-N 0 0 237.302 4.606 20 0 BJADRN C[C@H](Nc1cccc2ccccc21)c1ccco1 ZINC000019900860 176935787 /nfs/dbraw/zinc/93/57/87/176935787.db2.gz BPWOUXGVKJXIQH-LBPRGKRZSA-N 0 0 237.302 4.606 20 0 BJADRN C[C@@H](Nc1ccc(C(C)(C)C)cc1)c1ccco1 ZINC000019905428 490094587 /nfs/dbraw/zinc/09/45/87/490094587.db2.gz PJGUHDGNQYNEOD-GFCCVEGCSA-N 0 0 243.350 4.750 20 0 BJADRN C[C@H](Nc1ccc(C(C)(C)C)cc1)c1ccco1 ZINC000019905429 347313142 /nfs/dbraw/zinc/31/31/42/347313142.db2.gz PJGUHDGNQYNEOD-LBPRGKRZSA-N 0 0 243.350 4.750 20 0 BJADRN CSc1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000019906359 490094607 /nfs/dbraw/zinc/09/46/07/490094607.db2.gz HQTSUPJUCNMCPO-LBPRGKRZSA-N 0 0 243.375 4.582 20 0 BJADRN CSc1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000019906360 347314457 /nfs/dbraw/zinc/31/44/57/347314457.db2.gz HQTSUPJUCNMCPO-GFCCVEGCSA-N 0 0 243.375 4.582 20 0 BJADRN CSc1ccc(N[C@@H](C)c2cccs2)cc1 ZINC000019906385 347314293 /nfs/dbraw/zinc/31/42/93/347314293.db2.gz LRQHTPIXAFRJNN-JTQLQIEISA-N 0 0 249.404 4.643 20 0 BJADRN CSc1ccc(N[C@H](C)c2cccs2)cc1 ZINC000019906386 175577767 /nfs/dbraw/zinc/57/77/67/175577767.db2.gz LRQHTPIXAFRJNN-SNVBAGLBSA-N 0 0 249.404 4.643 20 0 BJADRN CC(C)c1ccc(N[C@@H](C)c2ccco2)cc1 ZINC000019912421 347317459 /nfs/dbraw/zinc/31/74/59/347317459.db2.gz PFSJZIQMQNYELA-LBPRGKRZSA-N 0 0 229.323 4.576 20 0 BJADRN CC(C)c1ccc(N[C@H](C)c2ccco2)cc1 ZINC000019912424 347317715 /nfs/dbraw/zinc/31/77/15/347317715.db2.gz PFSJZIQMQNYELA-GFCCVEGCSA-N 0 0 229.323 4.576 20 0 BJADRN Cc1ccc([C@H](C)Nc2ccc(C(C)C)cc2)o1 ZINC000019912431 385201933 /nfs/dbraw/zinc/20/19/33/385201933.db2.gz BJOJIELWLKGOJH-ZDUSSCGKSA-N 0 0 243.350 4.885 20 0 BJADRN Cc1ccc([C@@H](C)Nc2ccc(C(C)C)cc2)o1 ZINC000019912432 385201326 /nfs/dbraw/zinc/20/13/26/385201326.db2.gz BJOJIELWLKGOJH-CYBMUJFWSA-N 0 0 243.350 4.885 20 0 BJADRN Cc1ccc(N[C@H](C)c2ccccc2F)cc1C ZINC000019920149 178776634 /nfs/dbraw/zinc/77/66/34/178776634.db2.gz QUFPFUXSXMUWLH-CYBMUJFWSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1ccc(N[C@@H](C)c2ccccc2F)cc1C ZINC000019920150 178770371 /nfs/dbraw/zinc/77/03/71/178770371.db2.gz QUFPFUXSXMUWLH-ZDUSSCGKSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1ccc(N[C@H](C)c2ccc(F)cc2)cc1C ZINC000019920152 347317687 /nfs/dbraw/zinc/31/76/87/347317687.db2.gz DAVPXFPMLLDMPK-CYBMUJFWSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1ccc(N[C@@H](C)c2ccc(F)cc2)cc1C ZINC000019920154 347317405 /nfs/dbraw/zinc/31/74/05/347317405.db2.gz DAVPXFPMLLDMPK-ZDUSSCGKSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1ccc(N[C@H](C)c2cccc(F)c2)cc1C ZINC000019920256 347317418 /nfs/dbraw/zinc/31/74/18/347317418.db2.gz MKSWULHMHMKHBA-CYBMUJFWSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1ccc(N[C@@H](C)c2cccc(F)c2)cc1C ZINC000019920258 347317672 /nfs/dbraw/zinc/31/76/72/347317672.db2.gz MKSWULHMHMKHBA-ZDUSSCGKSA-N 0 0 243.325 4.616 20 0 BJADRN C[C@@H](Nc1cccc(Cl)c1)c1ccccc1 ZINC000019920339 175933094 /nfs/dbraw/zinc/93/30/94/175933094.db2.gz GAORUNDHDPHKLT-LLVKDONJSA-N 0 0 231.726 4.513 20 0 BJADRN C[C@H](Nc1cccc(Cl)c1)c1ccccc1 ZINC000019920341 347317745 /nfs/dbraw/zinc/31/77/45/347317745.db2.gz GAORUNDHDPHKLT-NSHDSACASA-N 0 0 231.726 4.513 20 0 BJADRN C[C@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000019921083 347317317 /nfs/dbraw/zinc/31/73/17/347317317.db2.gz LURKEPOVOHKECE-NSHDSACASA-N 0 0 231.726 4.513 20 0 BJADRN Cc1ccc([C@@H](C)Nc2cc(F)ccc2C)s1 ZINC000019953774 385231150 /nfs/dbraw/zinc/23/11/50/385231150.db2.gz WVJATDYARCPPSI-LLVKDONJSA-N 0 0 249.354 4.677 20 0 BJADRN Cc1ccc([C@H](C)Nc2cc(F)ccc2C)s1 ZINC000019953779 347328626 /nfs/dbraw/zinc/32/86/26/347328626.db2.gz WVJATDYARCPPSI-NSHDSACASA-N 0 0 249.354 4.677 20 0 BJADRN Cc1ccc([C@@H](C)Nc2ccc(C)c(F)c2)s1 ZINC000019956236 385233945 /nfs/dbraw/zinc/23/39/45/385233945.db2.gz LBPOWQJGKUTIJJ-LLVKDONJSA-N 0 0 249.354 4.677 20 0 BJADRN Cc1ccc([C@H](C)Nc2ccc(C)c(F)c2)s1 ZINC000019956240 347329013 /nfs/dbraw/zinc/32/90/13/347329013.db2.gz LBPOWQJGKUTIJJ-NSHDSACASA-N 0 0 249.354 4.677 20 0 BJADRN Cc1ccc([C@@H](C)Nc2ccc(F)cc2C)s1 ZINC000019961492 384563763 /nfs/dbraw/zinc/56/37/63/384563763.db2.gz YIWMXMJSWDOHON-LLVKDONJSA-N 0 0 249.354 4.677 20 0 BJADRN Cc1ccc([C@H](C)Nc2ccc(F)cc2C)s1 ZINC000019961496 385231935 /nfs/dbraw/zinc/23/19/35/385231935.db2.gz YIWMXMJSWDOHON-NSHDSACASA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cccc(N[C@H](C)c2cccs2)c1C ZINC000019964273 179156527 /nfs/dbraw/zinc/15/65/27/179156527.db2.gz USEXXOANXSIQTA-GFCCVEGCSA-N 0 0 231.364 4.538 20 0 BJADRN Cc1cccc(N[C@@H](C)c2cccs2)c1C ZINC000019964274 179152963 /nfs/dbraw/zinc/15/29/63/179152963.db2.gz USEXXOANXSIQTA-LBPRGKRZSA-N 0 0 231.364 4.538 20 0 BJADRN Cc1cccc(N[C@H](C)c2ccccc2F)c1C ZINC000019964276 179155883 /nfs/dbraw/zinc/15/58/83/179155883.db2.gz FNDDYUOTXUVERS-CYBMUJFWSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1cccc(N[C@@H](C)c2ccccc2F)c1C ZINC000019964277 179153469 /nfs/dbraw/zinc/15/34/69/179153469.db2.gz FNDDYUOTXUVERS-ZDUSSCGKSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1cccc(N[C@H](C)c2ccc(F)cc2)c1C ZINC000019964280 179156224 /nfs/dbraw/zinc/15/62/24/179156224.db2.gz KFPPYRZTHHPFBC-CYBMUJFWSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1cccc(N[C@@H](C)c2ccc(F)cc2)c1C ZINC000019964281 179152697 /nfs/dbraw/zinc/15/26/97/179152697.db2.gz KFPPYRZTHHPFBC-ZDUSSCGKSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1cccc(N[C@H](C)c2cccc(F)c2)c1C ZINC000019964341 179155967 /nfs/dbraw/zinc/15/59/67/179155967.db2.gz FJWMEIYBJCYFTJ-CYBMUJFWSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1cccc(N[C@@H](C)c2cccc(F)c2)c1C ZINC000019964342 179153714 /nfs/dbraw/zinc/15/37/14/179153714.db2.gz FJWMEIYBJCYFTJ-ZDUSSCGKSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1ccc([C@@H](C)Nc2cccc(C)c2C)s1 ZINC000019964348 385236979 /nfs/dbraw/zinc/23/69/79/385236979.db2.gz ABCFKIWWDODLLP-CYBMUJFWSA-N 0 0 245.391 4.846 20 0 BJADRN Cc1ccc([C@H](C)Nc2cccc(C)c2C)s1 ZINC000019964349 347329628 /nfs/dbraw/zinc/32/96/28/347329628.db2.gz ABCFKIWWDODLLP-ZDUSSCGKSA-N 0 0 245.391 4.846 20 0 BJADRN CC[C@@H](Nc1ccc(C)cc1)c1ccccc1 ZINC000019964410 347329756 /nfs/dbraw/zinc/32/97/56/347329756.db2.gz RIGTVIBRYAWRNM-MRXNPFEDSA-N 0 0 225.335 4.558 20 0 BJADRN CC[C@H](Nc1ccc(C)cc1)c1ccccc1 ZINC000019964411 347329764 /nfs/dbraw/zinc/32/97/64/347329764.db2.gz RIGTVIBRYAWRNM-INIZCTEOSA-N 0 0 225.335 4.558 20 0 BJADRN Cc1ccc([C@@H](C)Nc2ccc(C)cc2)s1 ZINC000019964550 178776599 /nfs/dbraw/zinc/77/65/99/178776599.db2.gz PKFZDYKGGDNIFA-GFCCVEGCSA-N 0 0 231.364 4.538 20 0 BJADRN Cc1ccc([C@H](C)Nc2ccc(C)cc2)s1 ZINC000019964551 178771297 /nfs/dbraw/zinc/77/12/97/178771297.db2.gz PKFZDYKGGDNIFA-LBPRGKRZSA-N 0 0 231.364 4.538 20 0 BJADRN Cc1ccc(C)c(N[C@H](C)c2cccs2)c1 ZINC000019964614 178485965 /nfs/dbraw/zinc/48/59/65/178485965.db2.gz WFSQSMJWBZBXLT-GFCCVEGCSA-N 0 0 231.364 4.538 20 0 BJADRN Cc1ccc(C)c(N[C@@H](C)c2cccs2)c1 ZINC000019964615 385235471 /nfs/dbraw/zinc/23/54/71/385235471.db2.gz WFSQSMJWBZBXLT-LBPRGKRZSA-N 0 0 231.364 4.538 20 0 BJADRN Cc1ccc(N[C@H](C)c2ccccc2Cl)cc1 ZINC000019979606 347331900 /nfs/dbraw/zinc/33/19/00/347331900.db2.gz UFWXYVOXRRYWBQ-GFCCVEGCSA-N 0 0 245.753 4.822 20 0 BJADRN Cc1ccc(N[C@@H](C)c2ccccc2Cl)cc1 ZINC000019979610 178770515 /nfs/dbraw/zinc/77/05/15/178770515.db2.gz UFWXYVOXRRYWBQ-LBPRGKRZSA-N 0 0 245.753 4.822 20 0 BJADRN CCc1ccc(N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000019980852 259386667 /nfs/dbraw/zinc/38/66/67/259386667.db2.gz FTOKVWBRIDDPPO-LBPRGKRZSA-N 0 0 243.325 4.561 20 0 BJADRN CCc1ccc(N[C@H](C)c2ccc(F)cc2)cc1 ZINC000019980855 259386909 /nfs/dbraw/zinc/38/69/09/259386909.db2.gz FTOKVWBRIDDPPO-GFCCVEGCSA-N 0 0 243.325 4.561 20 0 BJADRN CC(C)c1ccccc1NCc1cccc(F)c1 ZINC000019984341 167641556 /nfs/dbraw/zinc/64/15/56/167641556.db2.gz DKLOIJYUDAOQOZ-UHFFFAOYSA-N 0 0 243.325 4.561 20 0 BJADRN Cc1ccccc1NCc1ccc2ccccc2c1 ZINC000019991883 179305461 /nfs/dbraw/zinc/30/54/61/179305461.db2.gz KGHQPFKHLNZKBP-UHFFFAOYSA-N 0 0 247.341 4.760 20 0 BJADRN CC[C@@H](Nc1cccc(C)c1)c1ccc(F)cc1 ZINC000019994509 259387167 /nfs/dbraw/zinc/38/71/67/259387167.db2.gz JBDWIKFVXVWLRN-MRXNPFEDSA-N 0 0 243.325 4.697 20 0 BJADRN CC[C@H](Nc1cccc(C)c1)c1ccc(F)cc1 ZINC000019994512 259387130 /nfs/dbraw/zinc/38/71/30/259387130.db2.gz JBDWIKFVXVWLRN-INIZCTEOSA-N 0 0 243.325 4.697 20 0 BJADRN CCc1ccc(CNc2cc(C)cc(C)c2)s1 ZINC000019995047 371215203 /nfs/dbraw/zinc/21/52/03/371215203.db2.gz HCJLVZADFNTAKX-UHFFFAOYSA-N 0 0 245.391 4.539 20 0 BJADRN Cc1c(Cl)cccc1N[C@H](C)c1ccccc1 ZINC000019998915 177602186 /nfs/dbraw/zinc/60/21/86/177602186.db2.gz CCKMKCUESSUMQY-GFCCVEGCSA-N 0 0 245.753 4.822 20 0 BJADRN Cc1c(Cl)cccc1N[C@@H](C)c1ccccc1 ZINC000019998917 347333811 /nfs/dbraw/zinc/33/38/11/347333811.db2.gz CCKMKCUESSUMQY-LBPRGKRZSA-N 0 0 245.753 4.822 20 0 BJADRN CC(C)(C)c1ccc(NCc2ccccc2)cc1 ZINC000020000026 190981531 /nfs/dbraw/zinc/98/15/31/190981531.db2.gz QXCTVHMDOYLPKB-UHFFFAOYSA-N 0 0 239.362 4.596 20 0 BJADRN Cc1cccc(N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000020000829 259387179 /nfs/dbraw/zinc/38/71/79/259387179.db2.gz WMEQVWRTTGRKMM-GFCCVEGCSA-N 0 0 245.753 4.822 20 0 BJADRN Cc1cccc(N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000020000832 259387223 /nfs/dbraw/zinc/38/72/23/259387223.db2.gz WMEQVWRTTGRKMM-LBPRGKRZSA-N 0 0 245.753 4.822 20 0 BJADRN Cc1cccc(NCc2ccc3ccccc3c2)c1 ZINC000020003163 179150146 /nfs/dbraw/zinc/15/01/46/179150146.db2.gz LQDLZOJRLMPSEW-UHFFFAOYSA-N 0 0 247.341 4.760 20 0 BJADRN Cc1cccc(NCc2ccccc2Cl)c1C ZINC000020004153 179150438 /nfs/dbraw/zinc/15/04/38/179150438.db2.gz FUFOQDVNDVCATN-UHFFFAOYSA-N 0 0 245.753 4.569 20 0 BJADRN CC(C)c1cccc(N[C@@H](C)c2ccco2)c1 ZINC000020005008 259386781 /nfs/dbraw/zinc/38/67/81/259386781.db2.gz ANEBNKFNPXUWSF-LBPRGKRZSA-N 0 0 229.323 4.576 20 0 BJADRN CC(C)c1cccc(N[C@H](C)c2ccco2)c1 ZINC000020005011 259386697 /nfs/dbraw/zinc/38/66/97/259386697.db2.gz ANEBNKFNPXUWSF-GFCCVEGCSA-N 0 0 229.323 4.576 20 0 BJADRN Cc1ccc(N[C@H](C)c2ccc(F)cc2)c(C)c1 ZINC000020005236 347333870 /nfs/dbraw/zinc/33/38/70/347333870.db2.gz XGACPWUJRPVRIM-CYBMUJFWSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1ccc(N[C@@H](C)c2ccc(F)cc2)c(C)c1 ZINC000020005239 347333603 /nfs/dbraw/zinc/33/36/03/347333603.db2.gz XGACPWUJRPVRIM-ZDUSSCGKSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1cc(C)c(CNc2ccccc2C)c(C)c1 ZINC000020006293 177862264 /nfs/dbraw/zinc/86/22/64/177862264.db2.gz YNTWGMNMNUYBIY-UHFFFAOYSA-N 0 0 239.362 4.532 20 0 BJADRN CC(C)c1ccccc1NCc1ccc(F)cc1 ZINC000020009056 167640581 /nfs/dbraw/zinc/64/05/81/167640581.db2.gz VBXOYNSAHNUDCN-UHFFFAOYSA-N 0 0 243.325 4.561 20 0 BJADRN CCc1cccc(N[C@@H](C)c2ccc(F)cc2)c1 ZINC000020014532 323084316 /nfs/dbraw/zinc/08/43/16/323084316.db2.gz UQTCKBPKKJCPTF-LBPRGKRZSA-N 0 0 243.325 4.561 20 0 BJADRN CCc1cccc(N[C@H](C)c2ccc(F)cc2)c1 ZINC000020014535 323084351 /nfs/dbraw/zinc/08/43/51/323084351.db2.gz UQTCKBPKKJCPTF-GFCCVEGCSA-N 0 0 243.325 4.561 20 0 BJADRN Cc1cccc(NCc2c(C)cc(C)cc2C)c1 ZINC000020017847 179149380 /nfs/dbraw/zinc/14/93/80/179149380.db2.gz ZYVYIJMTZKLILX-UHFFFAOYSA-N 0 0 239.362 4.532 20 0 BJADRN CC(C)c1ccc(NCc2ccccc2F)cc1 ZINC000020018169 167606322 /nfs/dbraw/zinc/60/63/22/167606322.db2.gz LUJFYYPOIIHTAU-UHFFFAOYSA-N 0 0 243.325 4.561 20 0 BJADRN CC[C@@H](Nc1ccc(C)cc1)c1cccs1 ZINC000020018509 323084333 /nfs/dbraw/zinc/08/43/33/323084333.db2.gz AWPISGUIJIGVRR-CYBMUJFWSA-N 0 0 231.364 4.620 20 0 BJADRN CC[C@H](Nc1ccc(C)cc1)c1cccs1 ZINC000020018513 323084358 /nfs/dbraw/zinc/08/43/58/323084358.db2.gz AWPISGUIJIGVRR-ZDUSSCGKSA-N 0 0 231.364 4.620 20 0 BJADRN Cc1ccc(N[C@H](C)c2ccccc2)cc1Cl ZINC000020021196 323084347 /nfs/dbraw/zinc/08/43/47/323084347.db2.gz ZHGUBSQUQNZRCA-GFCCVEGCSA-N 0 0 245.753 4.822 20 0 BJADRN Cc1ccc(N[C@@H](C)c2ccccc2)cc1Cl ZINC000020021199 323084350 /nfs/dbraw/zinc/08/43/50/323084350.db2.gz ZHGUBSQUQNZRCA-LBPRGKRZSA-N 0 0 245.753 4.822 20 0 BJADRN CCc1ccc(CNc2cccc(C)c2C)s1 ZINC000020021213 371218692 /nfs/dbraw/zinc/21/86/92/371218692.db2.gz CCAVLYGQMUDLKO-UHFFFAOYSA-N 0 0 245.391 4.539 20 0 BJADRN Cc1ccc(C)c(N[C@H](C)c2cccc(F)c2)c1 ZINC000020021601 323084356 /nfs/dbraw/zinc/08/43/56/323084356.db2.gz GLMWYOLTUSYHMW-CYBMUJFWSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1ccc(C)c(N[C@@H](C)c2cccc(F)c2)c1 ZINC000020021604 323084344 /nfs/dbraw/zinc/08/43/44/323084344.db2.gz GLMWYOLTUSYHMW-ZDUSSCGKSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1ccc([C@@H](C)Nc2ccc(C)cc2F)s1 ZINC000020371377 384615461 /nfs/dbraw/zinc/61/54/61/384615461.db2.gz UDLWPJVBTMIREX-LLVKDONJSA-N 0 0 249.354 4.677 20 0 BJADRN Cc1ccc([C@H](C)Nc2ccc(C)cc2F)s1 ZINC000020371380 384615890 /nfs/dbraw/zinc/61/58/90/384615890.db2.gz UDLWPJVBTMIREX-NSHDSACASA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@@H](C)Nc2cc(F)ccc2C)c(C)o1 ZINC000020438319 178234953 /nfs/dbraw/zinc/23/49/53/178234953.db2.gz FZROAOYVEQFVTR-LLVKDONJSA-N 0 0 247.313 4.517 20 0 BJADRN Cc1cc([C@H](C)Nc2cc(F)ccc2C)c(C)o1 ZINC000020438322 178260365 /nfs/dbraw/zinc/26/03/65/178260365.db2.gz FZROAOYVEQFVTR-NSHDSACASA-N 0 0 247.313 4.517 20 0 BJADRN Cc1cc([C@@H](C)Nc2ccc(C)c(F)c2)c(C)o1 ZINC000020438338 259397195 /nfs/dbraw/zinc/39/71/95/259397195.db2.gz URRJGYSSHGNZQX-LLVKDONJSA-N 0 0 247.313 4.517 20 0 BJADRN Cc1cc([C@H](C)Nc2ccc(C)c(F)c2)c(C)o1 ZINC000020438341 259396963 /nfs/dbraw/zinc/39/69/63/259396963.db2.gz URRJGYSSHGNZQX-NSHDSACASA-N 0 0 247.313 4.517 20 0 BJADRN Cc1cc([C@@H](C)Nc2ccc(F)cc2C)c(C)o1 ZINC000020438370 538931950 /nfs/dbraw/zinc/93/19/50/538931950.db2.gz ASIKNYUKOBZNBL-LLVKDONJSA-N 0 0 247.313 4.517 20 0 BJADRN Cc1cc([C@H](C)Nc2ccc(F)cc2C)c(C)o1 ZINC000020438373 538931717 /nfs/dbraw/zinc/93/17/17/538931717.db2.gz ASIKNYUKOBZNBL-NSHDSACASA-N 0 0 247.313 4.517 20 0 BJADRN Cc1cc([C@@H](C)Nc2cccc(C)c2C)c(C)o1 ZINC000020438436 178234012 /nfs/dbraw/zinc/23/40/12/178234012.db2.gz HJFFVAYTAOGPHU-CYBMUJFWSA-N 0 0 243.350 4.686 20 0 BJADRN Cc1cc([C@H](C)Nc2cccc(C)c2C)c(C)o1 ZINC000020438439 178259784 /nfs/dbraw/zinc/25/97/84/178259784.db2.gz HJFFVAYTAOGPHU-ZDUSSCGKSA-N 0 0 243.350 4.686 20 0 BJADRN Cc1cc([C@@H](C)Nc2ccc(C)cc2F)c(C)o1 ZINC000020439540 259397189 /nfs/dbraw/zinc/39/71/89/259397189.db2.gz XVXRPYOBJOQFDN-LLVKDONJSA-N 0 0 247.313 4.517 20 0 BJADRN Cc1cc([C@H](C)Nc2ccc(C)cc2F)c(C)o1 ZINC000020439544 259396878 /nfs/dbraw/zinc/39/68/78/259396878.db2.gz XVXRPYOBJOQFDN-NSHDSACASA-N 0 0 247.313 4.517 20 0 BJADRN Cc1cc([C@@H](C)Nc2cc(C)ccc2F)c(C)o1 ZINC000020471506 259397949 /nfs/dbraw/zinc/39/79/49/259397949.db2.gz XDARRDCYFJOGTE-LLVKDONJSA-N 0 0 247.313 4.517 20 0 BJADRN Cc1cc([C@H](C)Nc2cc(C)ccc2F)c(C)o1 ZINC000020471507 259398158 /nfs/dbraw/zinc/39/81/58/259398158.db2.gz XDARRDCYFJOGTE-NSHDSACASA-N 0 0 247.313 4.517 20 0 BJADRN Cc1ccc([C@@H](C)Nc2cc(C)ccc2F)s1 ZINC000020471597 178676400 /nfs/dbraw/zinc/67/64/00/178676400.db2.gz OSDJAFNTLUVGQQ-LLVKDONJSA-N 0 0 249.354 4.677 20 0 BJADRN Cc1ccc([C@H](C)Nc2cc(C)ccc2F)s1 ZINC000020471598 347424707 /nfs/dbraw/zinc/42/47/07/347424707.db2.gz OSDJAFNTLUVGQQ-NSHDSACASA-N 0 0 249.354 4.677 20 0 BJADRN CC(C)c1ccc(NCc2cccc(F)c2)cc1 ZINC000020546448 347446291 /nfs/dbraw/zinc/44/62/91/347446291.db2.gz XGICXDFVNOWRHE-UHFFFAOYSA-N 0 0 243.325 4.561 20 0 BJADRN CCc1cccc(N[C@@H](C)c2ccccc2F)c1 ZINC000020549430 259399682 /nfs/dbraw/zinc/39/96/82/259399682.db2.gz KTEBRHSPNMOHHJ-LBPRGKRZSA-N 0 0 243.325 4.561 20 0 BJADRN CCc1cccc(N[C@H](C)c2ccccc2F)c1 ZINC000020549431 259399471 /nfs/dbraw/zinc/39/94/71/259399471.db2.gz KTEBRHSPNMOHHJ-GFCCVEGCSA-N 0 0 243.325 4.561 20 0 BJADRN Cc1cccc(N[C@H](C)c2ccccc2Cl)c1 ZINC000020549502 179156455 /nfs/dbraw/zinc/15/64/55/179156455.db2.gz OPHFSXZSPNHXAL-GFCCVEGCSA-N 0 0 245.753 4.822 20 0 BJADRN Cc1cccc(N[C@@H](C)c2ccccc2Cl)c1 ZINC000020549503 179153860 /nfs/dbraw/zinc/15/38/60/179153860.db2.gz OPHFSXZSPNHXAL-LBPRGKRZSA-N 0 0 245.753 4.822 20 0 BJADRN Cc1ccc(C)c(N[C@H](C)c2ccccc2F)c1 ZINC000020550593 259399765 /nfs/dbraw/zinc/39/97/65/259399765.db2.gz CPSVNZBHMWQAML-CYBMUJFWSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1ccc(C)c(N[C@@H](C)c2ccccc2F)c1 ZINC000020550594 259399591 /nfs/dbraw/zinc/39/95/91/259399591.db2.gz CPSVNZBHMWQAML-ZDUSSCGKSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1cc([C@@H](C)Nc2ccc(C)cc2)c(C)s1 ZINC000020551288 347446959 /nfs/dbraw/zinc/44/69/59/347446959.db2.gz CZXPVAKBORHAOP-GFCCVEGCSA-N 0 0 245.391 4.846 20 0 BJADRN Cc1cc([C@H](C)Nc2ccc(C)cc2)c(C)s1 ZINC000020551290 347446655 /nfs/dbraw/zinc/44/66/55/347446655.db2.gz CZXPVAKBORHAOP-LBPRGKRZSA-N 0 0 245.391 4.846 20 0 BJADRN Cc1ccc(C)c(NCc2ccc(Cl)cc2)c1 ZINC000020551916 385514353 /nfs/dbraw/zinc/51/43/53/385514353.db2.gz SECUKJSHJNHGFG-UHFFFAOYSA-N 0 0 245.753 4.569 20 0 BJADRN CCc1cccc(N[C@H](CC)c2ccccc2)c1 ZINC000020552395 385468167 /nfs/dbraw/zinc/46/81/67/385468167.db2.gz IKJRSBUFEFOVTH-QGZVFWFLSA-N 0 0 239.362 4.812 20 0 BJADRN CCc1cccc(N[C@@H](CC)c2ccccc2)c1 ZINC000020552396 385467145 /nfs/dbraw/zinc/46/71/45/385467145.db2.gz IKJRSBUFEFOVTH-KRWDZBQOSA-N 0 0 239.362 4.812 20 0 BJADRN CCc1ccccc1NCc1ccc(Cl)cc1 ZINC000020552468 385514740 /nfs/dbraw/zinc/51/47/40/385514740.db2.gz VRDCPKSXPULBCT-UHFFFAOYSA-N 0 0 245.753 4.515 20 0 BJADRN CC(C)c1ccccc1NCc1ccccc1F ZINC000020552521 347449401 /nfs/dbraw/zinc/44/94/01/347449401.db2.gz GMBBBAYCIPEUHC-UHFFFAOYSA-N 0 0 243.325 4.561 20 0 BJADRN Cc1ccc(C)c(NCc2ccccc2Cl)c1 ZINC000020559525 385513692 /nfs/dbraw/zinc/51/36/92/385513692.db2.gz AZPDBVWHWVTYMC-UHFFFAOYSA-N 0 0 245.753 4.569 20 0 BJADRN CC[C@@H](Nc1ccc(C)cc1)c1ccc(F)cc1 ZINC000020562168 170914882 /nfs/dbraw/zinc/91/48/82/170914882.db2.gz JCVHHKDWCIUCLR-MRXNPFEDSA-N 0 0 243.325 4.697 20 0 BJADRN CC[C@H](Nc1ccc(C)cc1)c1ccc(F)cc1 ZINC000020562169 347450236 /nfs/dbraw/zinc/45/02/36/347450236.db2.gz JCVHHKDWCIUCLR-INIZCTEOSA-N 0 0 243.325 4.697 20 0 BJADRN C[C@@H](Nc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000020565892 175930598 /nfs/dbraw/zinc/93/05/98/175930598.db2.gz RFPQBPURTFLNJV-SNVBAGLBSA-N 0 0 249.716 4.652 20 0 BJADRN C[C@H](Nc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000020565893 347457311 /nfs/dbraw/zinc/45/73/11/347457311.db2.gz RFPQBPURTFLNJV-JTQLQIEISA-N 0 0 249.716 4.652 20 0 BJADRN CCc1cccc(NCc2cccc(Cl)c2)c1 ZINC000021009102 386205519 /nfs/dbraw/zinc/20/55/19/386205519.db2.gz BZUQTYQONBZGKR-UHFFFAOYSA-N 0 0 245.753 4.515 20 0 BJADRN Cc1ccc(CNc2cccc(C)c2C)c(C)c1 ZINC000021009232 350367606 /nfs/dbraw/zinc/36/76/06/350367606.db2.gz YDIPMQWCTZGVQI-UHFFFAOYSA-N 0 0 239.362 4.532 20 0 BJADRN CCc1cccc(N[C@@H](C)c2cccc(F)c2)c1 ZINC000021009294 259418607 /nfs/dbraw/zinc/41/86/07/259418607.db2.gz HDVPZLUVCNHMTE-LBPRGKRZSA-N 0 0 243.325 4.561 20 0 BJADRN CCc1cccc(N[C@H](C)c2cccc(F)c2)c1 ZINC000021009295 386204666 /nfs/dbraw/zinc/20/46/66/386204666.db2.gz HDVPZLUVCNHMTE-GFCCVEGCSA-N 0 0 243.325 4.561 20 0 BJADRN Cc1ccccc1CNc1ccccc1C(C)C ZINC000021013510 179285410 /nfs/dbraw/zinc/28/54/10/179285410.db2.gz XPZAFNRBJRLHBV-UHFFFAOYSA-N 0 0 239.362 4.731 20 0 BJADRN CCc1ccc(NCc2ccccc2Cl)cc1 ZINC000021018566 385514835 /nfs/dbraw/zinc/51/48/35/385514835.db2.gz WTOHJCXGEYAAJN-UHFFFAOYSA-N 0 0 245.753 4.515 20 0 BJADRN C[C@@H](Nc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000021024880 386212566 /nfs/dbraw/zinc/21/25/66/386212566.db2.gz ZWYAOWLOFGIKHI-SNVBAGLBSA-N 0 0 249.716 4.652 20 0 BJADRN C[C@H](Nc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000021024887 386212178 /nfs/dbraw/zinc/21/21/78/386212178.db2.gz ZWYAOWLOFGIKHI-JTQLQIEISA-N 0 0 249.716 4.652 20 0 BJADRN CCc1ccc(N[C@@H](C)c2cccc(F)c2)cc1 ZINC000021025427 386212158 /nfs/dbraw/zinc/21/21/58/386212158.db2.gz LPZMHESLWUFXPX-LBPRGKRZSA-N 0 0 243.325 4.561 20 0 BJADRN CCc1ccc(N[C@H](C)c2cccc(F)c2)cc1 ZINC000021025433 386211935 /nfs/dbraw/zinc/21/19/35/386211935.db2.gz LPZMHESLWUFXPX-GFCCVEGCSA-N 0 0 243.325 4.561 20 0 BJADRN Cc1ccc(N[C@H](C)c2ccccc2F)c(C)c1 ZINC000021032149 386212532 /nfs/dbraw/zinc/21/25/32/386212532.db2.gz CJWPUKFASYLMFV-CYBMUJFWSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1ccc(N[C@@H](C)c2ccccc2F)c(C)c1 ZINC000021032156 386212933 /nfs/dbraw/zinc/21/29/33/386212933.db2.gz CJWPUKFASYLMFV-ZDUSSCGKSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1ccccc1N[C@H](C)c1ccc(Cl)cc1 ZINC000021034452 386211925 /nfs/dbraw/zinc/21/19/25/386211925.db2.gz BZWNWFXNTHGVEA-GFCCVEGCSA-N 0 0 245.753 4.822 20 0 BJADRN Cc1ccccc1N[C@@H](C)c1ccc(Cl)cc1 ZINC000021034459 386213447 /nfs/dbraw/zinc/21/34/47/386213447.db2.gz BZWNWFXNTHGVEA-LBPRGKRZSA-N 0 0 245.753 4.822 20 0 BJADRN Cc1cccc(NCc2cccc3ccccc32)c1 ZINC000021038019 179150528 /nfs/dbraw/zinc/15/05/28/179150528.db2.gz NUDNGWNOVXSRIO-UHFFFAOYSA-N 0 0 247.341 4.760 20 0 BJADRN Cc1ccc(NCc2ccc3ccccc3c2)cc1 ZINC000021054060 350391169 /nfs/dbraw/zinc/39/11/69/350391169.db2.gz KDVXLKFRFLVJBB-UHFFFAOYSA-N 0 0 247.341 4.760 20 0 BJADRN CC[C@@H](Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000021057165 259419320 /nfs/dbraw/zinc/41/93/20/259419320.db2.gz ANGBYMIDQSASDU-OAHLLOKOSA-N 0 0 247.288 4.528 20 0 BJADRN CC[C@H](Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000021057169 386230770 /nfs/dbraw/zinc/23/07/70/386230770.db2.gz ANGBYMIDQSASDU-HNNXBMFYSA-N 0 0 247.288 4.528 20 0 BJADRN C[C@@H](Nc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000021057951 259419325 /nfs/dbraw/zinc/41/93/25/259419325.db2.gz GRNJRLNMGDMLBI-SNVBAGLBSA-N 0 0 249.716 4.652 20 0 BJADRN C[C@H](Nc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000021057955 386230607 /nfs/dbraw/zinc/23/06/07/386230607.db2.gz GRNJRLNMGDMLBI-JTQLQIEISA-N 0 0 249.716 4.652 20 0 BJADRN Cc1ccccc1CNc1ccc(C(C)C)cc1 ZINC000021058660 179285270 /nfs/dbraw/zinc/28/52/70/179285270.db2.gz SDCSRUOCIKNKHO-UHFFFAOYSA-N 0 0 239.362 4.731 20 0 BJADRN Clc1ccccc1-c1cccc2cnccc21 ZINC000021148521 384464441 /nfs/dbraw/zinc/46/44/41/384464441.db2.gz CZBWGICZRNAZQG-UHFFFAOYSA-N 0 0 239.705 4.555 20 0 BJADRN CC[C@@H](Nc1cccc(C)c1)c1cccs1 ZINC000021500417 386470298 /nfs/dbraw/zinc/47/02/98/386470298.db2.gz JODMCHXNIXEHEM-CYBMUJFWSA-N 0 0 231.364 4.620 20 0 BJADRN CC[C@H](Nc1cccc(C)c1)c1cccs1 ZINC000021500419 386471139 /nfs/dbraw/zinc/47/11/39/386471139.db2.gz JODMCHXNIXEHEM-ZDUSSCGKSA-N 0 0 231.364 4.620 20 0 BJADRN Cc1ccccc1N[C@H](C)c1ccccc1Cl ZINC000021502197 386474328 /nfs/dbraw/zinc/47/43/28/386474328.db2.gz HCQRJMRQIYNWTH-GFCCVEGCSA-N 0 0 245.753 4.822 20 0 BJADRN Cc1ccccc1N[C@@H](C)c1ccccc1Cl ZINC000021502199 386472128 /nfs/dbraw/zinc/47/21/28/386472128.db2.gz HCQRJMRQIYNWTH-LBPRGKRZSA-N 0 0 245.753 4.822 20 0 BJADRN C[C@@H](Nc1ccc(F)cc1)c1ccccc1Cl ZINC000021503579 323099572 /nfs/dbraw/zinc/09/95/72/323099572.db2.gz LTVUJRRGUHEAGC-SNVBAGLBSA-N 0 0 249.716 4.652 20 0 BJADRN C[C@H](Nc1ccc(F)cc1)c1ccccc1Cl ZINC000021503581 323099521 /nfs/dbraw/zinc/09/95/21/323099521.db2.gz LTVUJRRGUHEAGC-JTQLQIEISA-N 0 0 249.716 4.652 20 0 BJADRN CC[C@@H](Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000021503856 350494281 /nfs/dbraw/zinc/49/42/81/350494281.db2.gz QQWBYHIGEXLPIJ-OAHLLOKOSA-N 0 0 247.288 4.528 20 0 BJADRN CC[C@H](Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000021503858 171551508 /nfs/dbraw/zinc/55/15/08/171551508.db2.gz QQWBYHIGEXLPIJ-HNNXBMFYSA-N 0 0 247.288 4.528 20 0 BJADRN Cc1cc(C)cc(NCc2ccccc2Cl)c1 ZINC000021504584 177910107 /nfs/dbraw/zinc/91/01/07/177910107.db2.gz WVSGSKQUWUXSFA-UHFFFAOYSA-N 0 0 245.753 4.569 20 0 BJADRN CCc1ccc(CNc2ccc(C)c(C)c2)s1 ZINC000021509572 371436676 /nfs/dbraw/zinc/43/66/76/371436676.db2.gz GOOIUFDZYGHXRG-UHFFFAOYSA-N 0 0 245.391 4.539 20 0 BJADRN Cc1ccc([C@H](C)Nc2cccc(C(C)C)c2)o1 ZINC000021510895 386482271 /nfs/dbraw/zinc/48/22/71/386482271.db2.gz HBUYCSVZJUAXRS-ZDUSSCGKSA-N 0 0 243.350 4.885 20 0 BJADRN Cc1ccc([C@@H](C)Nc2cccc(C(C)C)c2)o1 ZINC000021510897 259421142 /nfs/dbraw/zinc/42/11/42/259421142.db2.gz HBUYCSVZJUAXRS-CYBMUJFWSA-N 0 0 243.350 4.885 20 0 BJADRN Cc1ccc(NCc2c(C)cc(C)cc2C)cc1 ZINC000021513368 350491972 /nfs/dbraw/zinc/49/19/72/350491972.db2.gz HBDGYZGUSWCINR-UHFFFAOYSA-N 0 0 239.362 4.532 20 0 BJADRN Cc1ccccc1N[C@H](C)c1cccc(Cl)c1 ZINC000021514734 323099612 /nfs/dbraw/zinc/09/96/12/323099612.db2.gz QSDNPFZEPIUWQV-GFCCVEGCSA-N 0 0 245.753 4.822 20 0 BJADRN Cc1ccccc1N[C@@H](C)c1cccc(Cl)c1 ZINC000021514736 323099594 /nfs/dbraw/zinc/09/95/94/323099594.db2.gz QSDNPFZEPIUWQV-LBPRGKRZSA-N 0 0 245.753 4.822 20 0 BJADRN Cc1ccc(NCc2ccccc2Cl)c(C)c1 ZINC000021515304 347531325 /nfs/dbraw/zinc/53/13/25/347531325.db2.gz GDDBVVGCHPFCNS-UHFFFAOYSA-N 0 0 245.753 4.569 20 0 BJADRN Cc1cc([C@@H](C)Nc2ccc(F)cc2)c(C)s1 ZINC000021515583 178234638 /nfs/dbraw/zinc/23/46/38/178234638.db2.gz UHANLUBCWINPPP-SNVBAGLBSA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@H](C)Nc2ccc(F)cc2)c(C)s1 ZINC000021515585 178260071 /nfs/dbraw/zinc/26/00/71/178260071.db2.gz UHANLUBCWINPPP-JTQLQIEISA-N 0 0 249.354 4.677 20 0 BJADRN Cc1ccc(C)c(N[C@H](C)c2ccc(F)cc2)c1 ZINC000021516284 386476493 /nfs/dbraw/zinc/47/64/93/386476493.db2.gz FZDXZASHLJULQC-CYBMUJFWSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1ccc(C)c(N[C@@H](C)c2ccc(F)cc2)c1 ZINC000021516285 178485803 /nfs/dbraw/zinc/48/58/03/178485803.db2.gz FZDXZASHLJULQC-ZDUSSCGKSA-N 0 0 243.325 4.616 20 0 BJADRN CC(C)c1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000021516461 323099627 /nfs/dbraw/zinc/09/96/27/323099627.db2.gz PPTSEDNWPLMOTB-AWEZNQCLSA-N 0 0 239.362 4.983 20 0 BJADRN CC(C)c1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000021516462 262746846 /nfs/dbraw/zinc/74/68/46/262746846.db2.gz PPTSEDNWPLMOTB-CQSZACIVSA-N 0 0 239.362 4.983 20 0 BJADRN C[C@@H](Nc1cccc(Cl)c1)c1ccccc1F ZINC000021518720 383982196 /nfs/dbraw/zinc/98/21/96/383982196.db2.gz GRXCRTGTEQKRHR-SNVBAGLBSA-N 0 0 249.716 4.652 20 0 BJADRN C[C@H](Nc1cccc(Cl)c1)c1ccccc1F ZINC000021518721 383982389 /nfs/dbraw/zinc/98/23/89/383982389.db2.gz GRXCRTGTEQKRHR-JTQLQIEISA-N 0 0 249.716 4.652 20 0 BJADRN CCc1ccccc1N[C@@H](C)c1ccccc1F ZINC000021520738 383981254 /nfs/dbraw/zinc/98/12/54/383981254.db2.gz FNAATRAVDIJFOG-LBPRGKRZSA-N 0 0 243.325 4.561 20 0 BJADRN CCc1ccccc1N[C@H](C)c1ccccc1F ZINC000021520739 383981320 /nfs/dbraw/zinc/98/13/20/383981320.db2.gz FNAATRAVDIJFOG-GFCCVEGCSA-N 0 0 243.325 4.561 20 0 BJADRN CC[C@@H](Nc1cc(C)cc(C)c1)c1ccccc1 ZINC000021788186 259423797 /nfs/dbraw/zinc/42/37/97/259423797.db2.gz SVZMLWVCPHJFCH-QGZVFWFLSA-N 0 0 239.362 4.867 20 0 BJADRN CC[C@H](Nc1cc(C)cc(C)c1)c1ccccc1 ZINC000021788190 385700062 /nfs/dbraw/zinc/70/00/62/385700062.db2.gz SVZMLWVCPHJFCH-KRWDZBQOSA-N 0 0 239.362 4.867 20 0 BJADRN CC(C)(C)c1ccc(NCc2ccsc2)cc1 ZINC000021800149 643323567 /nfs/dbraw/zinc/32/35/67/643323567.db2.gz LUWJPEQDXBQNGL-UHFFFAOYSA-N 0 0 245.391 4.658 20 0 BJADRN Cc1cc([C@@H](C)Nc2cccc(F)c2)c(C)s1 ZINC000021802352 323100911 /nfs/dbraw/zinc/10/09/11/323100911.db2.gz RBJPARIWGFPXPY-SNVBAGLBSA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@H](C)Nc2cccc(F)c2)c(C)s1 ZINC000021802355 323100967 /nfs/dbraw/zinc/10/09/67/323100967.db2.gz RBJPARIWGFPXPY-JTQLQIEISA-N 0 0 249.354 4.677 20 0 BJADRN CCc1ccc(N[C@H](CC)c2ccccc2)cc1 ZINC000021802504 323100924 /nfs/dbraw/zinc/10/09/24/323100924.db2.gz HJPCDIVSPKZQDG-QGZVFWFLSA-N 0 0 239.362 4.812 20 0 BJADRN CCc1ccc(N[C@@H](CC)c2ccccc2)cc1 ZINC000021802507 323100884 /nfs/dbraw/zinc/10/08/84/323100884.db2.gz HJPCDIVSPKZQDG-KRWDZBQOSA-N 0 0 239.362 4.812 20 0 BJADRN CCc1ccc(N[C@@H](C)c2ccccc2F)cc1 ZINC000021803245 350594399 /nfs/dbraw/zinc/59/43/99/350594399.db2.gz HUHYSDMYTCGZOT-LBPRGKRZSA-N 0 0 243.325 4.561 20 0 BJADRN CCc1ccc(N[C@H](C)c2ccccc2F)cc1 ZINC000021803247 350594431 /nfs/dbraw/zinc/59/44/31/350594431.db2.gz HUHYSDMYTCGZOT-GFCCVEGCSA-N 0 0 243.325 4.561 20 0 BJADRN CC(C)(C)c1ccc(CNc2ccccc2)cc1 ZINC000021805261 350594830 /nfs/dbraw/zinc/59/48/30/350594830.db2.gz PVAVPLXNUBVKPH-UHFFFAOYSA-N 0 0 239.362 4.596 20 0 BJADRN C[C@@H](Nc1ccccc1Cl)c1ccccc1F ZINC000021809349 384611423 /nfs/dbraw/zinc/61/14/23/384611423.db2.gz HIMMEWZUABSEKB-SNVBAGLBSA-N 0 0 249.716 4.652 20 0 BJADRN C[C@H](Nc1ccccc1Cl)c1ccccc1F ZINC000021809351 384610994 /nfs/dbraw/zinc/61/09/94/384610994.db2.gz HIMMEWZUABSEKB-JTQLQIEISA-N 0 0 249.716 4.652 20 0 BJADRN Cc1ccc(N[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000021810883 343021438 /nfs/dbraw/zinc/02/14/38/343021438.db2.gz QJYVXRXWYUEVIV-GFCCVEGCSA-N 0 0 245.753 4.822 20 0 BJADRN Cc1ccc(N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000021810884 350595531 /nfs/dbraw/zinc/59/55/31/350595531.db2.gz QJYVXRXWYUEVIV-LBPRGKRZSA-N 0 0 245.753 4.822 20 0 BJADRN C[C@@H](Nc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000021811352 350595284 /nfs/dbraw/zinc/59/52/84/350595284.db2.gz URELYAZZHCEUPE-SNVBAGLBSA-N 0 0 249.716 4.652 20 0 BJADRN C[C@H](Nc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000021811354 385708196 /nfs/dbraw/zinc/70/81/96/385708196.db2.gz URELYAZZHCEUPE-JTQLQIEISA-N 0 0 249.716 4.652 20 0 BJADRN Cc1cc(C)cc(N[C@H](C)c2ccc(F)cc2)c1 ZINC000021812571 259424197 /nfs/dbraw/zinc/42/41/97/259424197.db2.gz ZXIMICHLOZGJDX-CYBMUJFWSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1cc(C)cc(N[C@@H](C)c2ccc(F)cc2)c1 ZINC000021812572 259424120 /nfs/dbraw/zinc/42/41/20/259424120.db2.gz ZXIMICHLOZGJDX-ZDUSSCGKSA-N 0 0 243.325 4.616 20 0 BJADRN CC[C@@H](Nc1ccc(C)c(F)c1)c1ccccc1 ZINC000021813112 385717490 /nfs/dbraw/zinc/71/74/90/385717490.db2.gz DXZKMJVAEBULIX-MRXNPFEDSA-N 0 0 243.325 4.697 20 0 BJADRN CC[C@H](Nc1ccc(C)c(F)c1)c1ccccc1 ZINC000021813113 385716598 /nfs/dbraw/zinc/71/65/98/385716598.db2.gz DXZKMJVAEBULIX-INIZCTEOSA-N 0 0 243.325 4.697 20 0 BJADRN Cc1ccc(N[C@H](C)c2cccc(Cl)c2)cc1 ZINC000021813611 385716190 /nfs/dbraw/zinc/71/61/90/385716190.db2.gz NQHDTQAOOWDQRB-GFCCVEGCSA-N 0 0 245.753 4.822 20 0 BJADRN Cc1ccc(N[C@@H](C)c2cccc(Cl)c2)cc1 ZINC000021813612 385716881 /nfs/dbraw/zinc/71/68/81/385716881.db2.gz NQHDTQAOOWDQRB-LBPRGKRZSA-N 0 0 245.753 4.822 20 0 BJADRN CCc1ccccc1NCc1ccccc1Cl ZINC000021813712 385543993 /nfs/dbraw/zinc/54/39/93/385543993.db2.gz IENZKVRZHRYYNW-UHFFFAOYSA-N 0 0 245.753 4.515 20 0 BJADRN CCc1cccc(NCc2ccccc2Cl)c1 ZINC000021814112 171863711 /nfs/dbraw/zinc/86/37/11/171863711.db2.gz VFZPWVYJWCOHNO-UHFFFAOYSA-N 0 0 245.753 4.515 20 0 BJADRN Cc1cc(C)cc(N[C@H](C)c2ccccc2F)c1 ZINC000021817484 385715607 /nfs/dbraw/zinc/71/56/07/385715607.db2.gz WTWLEESHUIFHFC-CYBMUJFWSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1cc(C)cc(N[C@@H](C)c2ccccc2F)c1 ZINC000021817486 385715296 /nfs/dbraw/zinc/71/52/96/385715296.db2.gz WTWLEESHUIFHFC-ZDUSSCGKSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1cccc(CNc2cccc3ccccc32)c1 ZINC000021817994 187253753 /nfs/dbraw/zinc/25/37/53/187253753.db2.gz GSFNXFPRJWQOEL-UHFFFAOYSA-N 0 0 247.341 4.760 20 0 BJADRN Cc1ccc(N[C@H](C)c2cccc(F)c2)c(C)c1 ZINC000021818834 385721177 /nfs/dbraw/zinc/72/11/77/385721177.db2.gz LIHPQILTGXCGHJ-CYBMUJFWSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1ccc(N[C@@H](C)c2cccc(F)c2)c(C)c1 ZINC000021818836 385721279 /nfs/dbraw/zinc/72/12/79/385721279.db2.gz LIHPQILTGXCGHJ-ZDUSSCGKSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1cccc(N[C@H](C)c2cccc(Cl)c2)c1 ZINC000021818953 385721603 /nfs/dbraw/zinc/72/16/03/385721603.db2.gz PICHVGSNMNYYEE-GFCCVEGCSA-N 0 0 245.753 4.822 20 0 BJADRN Cc1cccc(N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000021818954 385722322 /nfs/dbraw/zinc/72/23/22/385722322.db2.gz PICHVGSNMNYYEE-LBPRGKRZSA-N 0 0 245.753 4.822 20 0 BJADRN CC[C@@H](Nc1ccc(C)c(C)c1)c1ccccc1 ZINC000022145732 259431226 /nfs/dbraw/zinc/43/12/26/259431226.db2.gz FUZGWCZUNRPYGP-QGZVFWFLSA-N 0 0 239.362 4.867 20 0 BJADRN CC[C@H](Nc1ccc(C)c(C)c1)c1ccccc1 ZINC000022145735 385766820 /nfs/dbraw/zinc/76/68/20/385766820.db2.gz FUZGWCZUNRPYGP-KRWDZBQOSA-N 0 0 239.362 4.867 20 0 BJADRN CC(C)c1ccc(NCc2ccc(F)cc2)cc1 ZINC000022146125 351047189 /nfs/dbraw/zinc/04/71/89/351047189.db2.gz XFSZSDXZUOICFV-UHFFFAOYSA-N 0 0 243.325 4.561 20 0 BJADRN Cc1cc([C@@H](C)Nc2cccc(C)c2)c(C)s1 ZINC000022147640 259431258 /nfs/dbraw/zinc/43/12/58/259431258.db2.gz MTKSQLCECJJWQW-GFCCVEGCSA-N 0 0 245.391 4.846 20 0 BJADRN Cc1cc([C@H](C)Nc2cccc(C)c2)c(C)s1 ZINC000022147643 385769603 /nfs/dbraw/zinc/76/96/03/385769603.db2.gz MTKSQLCECJJWQW-LBPRGKRZSA-N 0 0 245.391 4.846 20 0 BJADRN Cc1cc(C)cc(N[C@H](C)c2cccc(F)c2)c1 ZINC000022151036 351056038 /nfs/dbraw/zinc/05/60/38/351056038.db2.gz CJXAWMKTVVDKHJ-CYBMUJFWSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1cc(C)cc(N[C@@H](C)c2cccc(F)c2)c1 ZINC000022151040 351056265 /nfs/dbraw/zinc/05/62/65/351056265.db2.gz CJXAWMKTVVDKHJ-ZDUSSCGKSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1ccc(NCc2ccccc2Cl)cc1C ZINC000022153017 347600498 /nfs/dbraw/zinc/60/04/98/347600498.db2.gz KOQMVNYNEOVXNU-UHFFFAOYSA-N 0 0 245.753 4.569 20 0 BJADRN Cc1ccc(CNc2ccc(C)c(C)c2)c(C)c1 ZINC000022153206 352383719 /nfs/dbraw/zinc/38/37/19/352383719.db2.gz WIQHJVZUVPANQD-UHFFFAOYSA-N 0 0 239.362 4.532 20 0 BJADRN Cc1cccc(C)c1NCc1ccccc1Cl ZINC000032102338 179044325 /nfs/dbraw/zinc/04/43/25/179044325.db2.gz LUAMUMMKZBPWEP-UHFFFAOYSA-N 0 0 245.753 4.569 20 0 BJADRN Cc1cccc(C)c1NCc1ccc(Cl)cc1 ZINC000032102340 179043974 /nfs/dbraw/zinc/04/39/74/179043974.db2.gz FOJIAQGFTNNUKK-UHFFFAOYSA-N 0 0 245.753 4.569 20 0 BJADRN CCSC(c1ccccc1)c1ccccc1 ZINC000032207035 368256629 /nfs/dbraw/zinc/25/66/29/368256629.db2.gz JXJGZRIEHCBUKF-UHFFFAOYSA-N 0 0 228.360 4.529 20 0 BJADRN Fc1ccccc1/C=C\c1ccc2ccccc2n1 ZINC000033248129 181010450 /nfs/dbraw/zinc/01/04/50/181010450.db2.gz GJLRIWPBWOADFG-LUAWRHEFSA-N 0 0 249.288 4.544 20 0 BJADRN Fc1cccc(/C=C\c2ccc3ccccc3n2)c1 ZINC000033406964 350232886 /nfs/dbraw/zinc/23/28/86/350232886.db2.gz BUQBFCOAIRWJIB-NTMALXAHSA-N 0 0 249.288 4.544 20 0 BJADRN Fc1ccc(/C=C\c2ccc3ccccc3n2)cc1 ZINC000033528140 180961807 /nfs/dbraw/zinc/96/18/07/180961807.db2.gz DXZWCRGXCIYTII-XFFZJAGNSA-N 0 0 249.288 4.544 20 0 BJADRN CC(C)(C)c1ccccc1NCc1ccccc1 ZINC000035039710 188467102 /nfs/dbraw/zinc/46/71/02/188467102.db2.gz CILFQVBCAVUFAQ-UHFFFAOYSA-N 0 0 239.362 4.596 20 0 BJADRN Cc1ccccc1CNc1ccc2ccccc2c1 ZINC000035141345 179286251 /nfs/dbraw/zinc/28/62/51/179286251.db2.gz YZQWWQBGJOHRAO-UHFFFAOYSA-N 0 0 247.341 4.760 20 0 BJADRN Cc1cccc(CNc2ccc3ccccc3c2)c1 ZINC000035141362 645977058 /nfs/dbraw/zinc/97/70/58/645977058.db2.gz HGGFFAUKMPPWEI-UHFFFAOYSA-N 0 0 247.341 4.760 20 0 BJADRN c1ccc2cc(NC[C@H]3CC=CCC3)ccc2c1 ZINC000036951854 712516386 /nfs/dbraw/zinc/51/63/86/712516386.db2.gz QZLWYTDTIXMTOB-AWEZNQCLSA-N 0 0 237.346 4.608 20 0 BJADRN c1ccc2cc(NC[C@@H]3CC=CCC3)ccc2c1 ZINC000036951855 712516527 /nfs/dbraw/zinc/51/65/27/712516527.db2.gz QZLWYTDTIXMTOB-CQSZACIVSA-N 0 0 237.346 4.608 20 0 BJADRN C[C@H](Nc1ccc2ccccc2c1)c1ccco1 ZINC000036952033 712516552 /nfs/dbraw/zinc/51/65/52/712516552.db2.gz PRBZLCHDDHQURP-LBPRGKRZSA-N 0 0 237.302 4.606 20 0 BJADRN C[C@@H](Nc1ccc2ccccc2c1)c1ccco1 ZINC000036952034 712516376 /nfs/dbraw/zinc/51/63/76/712516376.db2.gz PRBZLCHDDHQURP-GFCCVEGCSA-N 0 0 237.302 4.606 20 0 BJADRN C[C@H](Nc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000037070159 324244870 /nfs/dbraw/zinc/24/48/70/324244870.db2.gz QEHZINBRVZERNN-JTQLQIEISA-N 0 0 249.716 4.652 20 0 BJADRN C[C@@H](Nc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000037070160 324244477 /nfs/dbraw/zinc/24/44/77/324244477.db2.gz QEHZINBRVZERNN-SNVBAGLBSA-N 0 0 249.716 4.652 20 0 BJADRN c1cc(CNc2ccc3ccccc3c2)cs1 ZINC000037118459 712546608 /nfs/dbraw/zinc/54/66/08/712546608.db2.gz RSBAJTBUGOFDIW-UHFFFAOYSA-N 0 0 239.343 4.513 20 0 BJADRN Cc1cccc([C@@H](C)Nc2ccc(C)c(C)c2)c1 ZINC000037202313 356353317 /nfs/dbraw/zinc/35/33/17/356353317.db2.gz LSLQOFCQXGSXHZ-OAHLLOKOSA-N 0 0 239.362 4.785 20 0 BJADRN Cc1cccc([C@H](C)Nc2ccc(C)c(C)c2)c1 ZINC000037202314 356353192 /nfs/dbraw/zinc/35/31/92/356353192.db2.gz LSLQOFCQXGSXHZ-HNNXBMFYSA-N 0 0 239.362 4.785 20 0 BJADRN Cc1ccc(CNc2ccc(C)c(C)c2)cc1C ZINC000037202345 178637693 /nfs/dbraw/zinc/63/76/93/178637693.db2.gz ZFAWTMLFVWSWSO-UHFFFAOYSA-N 0 0 239.362 4.532 20 0 BJADRN Cc1cccc([C@@H](C)Nc2ccc(Cl)cc2)c1 ZINC000037202853 356352918 /nfs/dbraw/zinc/35/29/18/356352918.db2.gz PDFFDMZAMWIGAO-GFCCVEGCSA-N 0 0 245.753 4.822 20 0 BJADRN Cc1cccc([C@H](C)Nc2ccc(Cl)cc2)c1 ZINC000037202854 356353131 /nfs/dbraw/zinc/35/31/31/356353131.db2.gz PDFFDMZAMWIGAO-LBPRGKRZSA-N 0 0 245.753 4.822 20 0 BJADRN Cc1cccc([C@@H](C)Nc2cc(C)cc(C)c2)c1 ZINC000037212489 356354200 /nfs/dbraw/zinc/35/42/00/356354200.db2.gz HVLCRDAJNDSTCU-OAHLLOKOSA-N 0 0 239.362 4.785 20 0 BJADRN Cc1cccc([C@H](C)Nc2cc(C)cc(C)c2)c1 ZINC000037212490 356354444 /nfs/dbraw/zinc/35/44/44/356354444.db2.gz HVLCRDAJNDSTCU-HNNXBMFYSA-N 0 0 239.362 4.785 20 0 BJADRN CCc1ccc(N[C@@H](C)c2cccc(C)c2)cc1 ZINC000037213006 356354194 /nfs/dbraw/zinc/35/41/94/356354194.db2.gz FYQGOUQICZPBSL-AWEZNQCLSA-N 0 0 239.362 4.731 20 0 BJADRN CCc1ccc(N[C@H](C)c2cccc(C)c2)cc1 ZINC000037213007 356354422 /nfs/dbraw/zinc/35/44/22/356354422.db2.gz FYQGOUQICZPBSL-CQSZACIVSA-N 0 0 239.362 4.731 20 0 BJADRN Cc1cccc([C@@H](C)Nc2ccc(C)c(F)c2)c1 ZINC000037213210 356354365 /nfs/dbraw/zinc/35/43/65/356354365.db2.gz QHLGKUVQPHJFCH-CYBMUJFWSA-N 0 0 243.325 4.616 20 0 BJADRN Cc1cccc([C@H](C)Nc2ccc(C)c(F)c2)c1 ZINC000037213211 356354339 /nfs/dbraw/zinc/35/43/39/356354339.db2.gz QHLGKUVQPHJFCH-ZDUSSCGKSA-N 0 0 243.325 4.616 20 0 BJADRN CCc1cccc(N[C@@H](C)c2cccc(C)c2)c1 ZINC000037214417 356354112 /nfs/dbraw/zinc/35/41/12/356354112.db2.gz BNERAHJUQRKDSV-AWEZNQCLSA-N 0 0 239.362 4.731 20 0 BJADRN CCc1cccc(N[C@H](C)c2cccc(C)c2)c1 ZINC000037214418 356354084 /nfs/dbraw/zinc/35/40/84/356354084.db2.gz BNERAHJUQRKDSV-CQSZACIVSA-N 0 0 239.362 4.731 20 0 BJADRN Cc1ccc(CNc2cccc(C)c2C)cc1C ZINC000037215691 363879699 /nfs/dbraw/zinc/87/96/99/363879699.db2.gz UCCVDWOGAHZFRV-UHFFFAOYSA-N 0 0 239.362 4.532 20 0 BJADRN Cc1ccc(NCc2cc(C)c(C)cc2C)cc1 ZINC000037215858 324438041 /nfs/dbraw/zinc/43/80/41/324438041.db2.gz ZMVXXLSRTXUXCV-UHFFFAOYSA-N 0 0 239.362 4.532 20 0 BJADRN CC(C)c1ccccc1NCc1ccc(Cl)o1 ZINC000037503814 323289743 /nfs/dbraw/zinc/28/97/43/323289743.db2.gz SECPEIMRDIHNRX-UHFFFAOYSA-N 0 0 249.741 4.669 20 0 BJADRN CC(C)c1ccc(NCc2ccc(Cl)o2)cc1 ZINC000037503830 324569857 /nfs/dbraw/zinc/56/98/57/324569857.db2.gz PPIAVBZOEPUUQG-UHFFFAOYSA-N 0 0 249.741 4.669 20 0 BJADRN CC(C)c1cccc(NCc2ccc(Cl)o2)c1 ZINC000037503897 323289621 /nfs/dbraw/zinc/28/96/21/323289621.db2.gz LCLCPWQZMVIZMY-UHFFFAOYSA-N 0 0 249.741 4.669 20 0 BJADRN COc1ccccc1-c1ccc2ccccc2c1 ZINC000038313558 537846754 /nfs/dbraw/zinc/84/67/54/537846754.db2.gz QDICOYCKIWPAPA-UHFFFAOYSA-N 0 0 234.298 4.515 20 0 BJADRN Oc1ccccc1-c1ccc(-c2ccccc2)cc1 ZINC000039259525 641251876 /nfs/dbraw/zinc/25/18/76/641251876.db2.gz NHMAFIMOCYQLOP-UHFFFAOYSA-N 0 0 246.309 4.726 20 0 BJADRN c1c2ccccc2sc1CNc1ccccc1 ZINC000040222768 322830212 /nfs/dbraw/zinc/83/02/12/322830212.db2.gz XZAUHZKUJFIVPX-UHFFFAOYSA-N 0 0 239.343 4.513 20 0 BJADRN Cc1cccc(N[C@@H](c2ccccc2)C2CC2)c1 ZINC000041075159 322834873 /nfs/dbraw/zinc/83/48/73/322834873.db2.gz SGIPVKFVWBVFNC-KRWDZBQOSA-N 0 0 237.346 4.558 20 0 BJADRN Cc1cccc(N[C@H](c2ccccc2)C2CC2)c1 ZINC000041075160 322834702 /nfs/dbraw/zinc/83/47/02/322834702.db2.gz SGIPVKFVWBVFNC-QGZVFWFLSA-N 0 0 237.346 4.558 20 0 BJADRN Cc1ccc(N[C@@H](c2ccccc2)C2CC2)cc1 ZINC000041075287 322834748 /nfs/dbraw/zinc/83/47/48/322834748.db2.gz PNCCLEGDTBCMSX-KRWDZBQOSA-N 0 0 237.346 4.558 20 0 BJADRN Cc1ccc(N[C@H](c2ccccc2)C2CC2)cc1 ZINC000041075288 384605892 /nfs/dbraw/zinc/60/58/92/384605892.db2.gz PNCCLEGDTBCMSX-QGZVFWFLSA-N 0 0 237.346 4.558 20 0 BJADRN Cc1nc(-c2ccc(C(C)C)cc2)sc1C ZINC000041257994 388433917 /nfs/dbraw/zinc/43/39/17/388433917.db2.gz POZGQMOIEWITEW-UHFFFAOYSA-N 0 0 231.364 4.550 20 0 BJADRN Cc1ccc(C)c(CNc2cccc(C)c2C)c1 ZINC000042221766 178476001 /nfs/dbraw/zinc/47/60/01/178476001.db2.gz FONCRVKRWHCDCK-UHFFFAOYSA-N 0 0 239.362 4.532 20 0 BJADRN Cc1ccc(C)c(CNc2ccc(C)c(C)c2)c1 ZINC000042221779 384636374 /nfs/dbraw/zinc/63/63/74/384636374.db2.gz FBESBIDDIDQLOO-UHFFFAOYSA-N 0 0 239.362 4.532 20 0 BJADRN Cc1cccc(CNc2cccc(C)c2C)c1C ZINC000042243971 188119737 /nfs/dbraw/zinc/11/97/37/188119737.db2.gz NYCWRFHINWYDPD-UHFFFAOYSA-N 0 0 239.362 4.532 20 0 BJADRN Cc1ccc(NCc2cccc(C)c2C)c(C)c1 ZINC000042243973 178763346 /nfs/dbraw/zinc/76/33/46/178763346.db2.gz BTXCQTNRBKJOMF-UHFFFAOYSA-N 0 0 239.362 4.532 20 0 BJADRN Cc1ccc(NCc2cccc(C)c2C)cc1C ZINC000042244111 342995729 /nfs/dbraw/zinc/99/57/29/342995729.db2.gz ICTNRXIUBPSNCX-UHFFFAOYSA-N 0 0 239.362 4.532 20 0 BJADRN Cc1cc(C)cc(NCc2cccc(C)c2C)c1 ZINC000042244133 342995673 /nfs/dbraw/zinc/99/56/73/342995673.db2.gz XAVJXNZPVSQIIY-UHFFFAOYSA-N 0 0 239.362 4.532 20 0 BJADRN Cc1ccc([C@@H](C)Nc2cccc(F)c2C)s1 ZINC000043319716 322838993 /nfs/dbraw/zinc/83/89/93/322838993.db2.gz QBGXWJFOERPRJK-LLVKDONJSA-N 0 0 249.354 4.677 20 0 BJADRN Cc1ccc([C@H](C)Nc2cccc(F)c2C)s1 ZINC000043319718 322838998 /nfs/dbraw/zinc/83/89/98/322838998.db2.gz QBGXWJFOERPRJK-NSHDSACASA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@@H](C)Nc2cccc(F)c2C)c(C)o1 ZINC000043319908 538980623 /nfs/dbraw/zinc/98/06/23/538980623.db2.gz LSFNWVUJJPZEDH-LLVKDONJSA-N 0 0 247.313 4.517 20 0 BJADRN Cc1cc([C@H](C)Nc2cccc(F)c2C)c(C)o1 ZINC000043319910 538980217 /nfs/dbraw/zinc/98/02/17/538980217.db2.gz LSFNWVUJJPZEDH-NSHDSACASA-N 0 0 247.313 4.517 20 0 BJADRN C[C@H](Sc1ccccn1)c1ccccc1Cl ZINC000048397473 323153386 /nfs/dbraw/zinc/15/33/86/323153386.db2.gz WYAHGACIZGRLSH-JTQLQIEISA-N 0 0 249.766 4.588 20 0 BJADRN C[C@@H](Sc1ccccn1)c1ccccc1Cl ZINC000048397475 323153437 /nfs/dbraw/zinc/15/34/37/323153437.db2.gz WYAHGACIZGRLSH-SNVBAGLBSA-N 0 0 249.766 4.588 20 0 BJADRN CC(C)c1nc(-c2cc3ccccc3o2)cs1 ZINC000048640505 323154103 /nfs/dbraw/zinc/15/41/03/323154103.db2.gz DAUMQJKPZWXJAD-UHFFFAOYSA-N 0 0 243.331 4.680 20 0 BJADRN Cc1ccc(N[C@@H](C)c2ccsc2)c(C)c1 ZINC000050337348 384699870 /nfs/dbraw/zinc/69/98/70/384699870.db2.gz OMDSBSKZYDTHPN-LBPRGKRZSA-N 0 0 231.364 4.538 20 0 BJADRN Cc1ccc(N[C@H](C)c2ccsc2)c(C)c1 ZINC000050337352 322850856 /nfs/dbraw/zinc/85/08/56/322850856.db2.gz OMDSBSKZYDTHPN-GFCCVEGCSA-N 0 0 231.364 4.538 20 0 BJADRN CSc1cccc(N[C@@H](C)c2ccsc2)c1 ZINC000050337464 322850916 /nfs/dbraw/zinc/85/09/16/322850916.db2.gz CVDZAJITWCYZLI-JTQLQIEISA-N 0 0 249.404 4.643 20 0 BJADRN CSc1cccc(N[C@H](C)c2ccsc2)c1 ZINC000050337467 322850872 /nfs/dbraw/zinc/85/08/72/322850872.db2.gz CVDZAJITWCYZLI-SNVBAGLBSA-N 0 0 249.404 4.643 20 0 BJADRN CSc1ccc(N[C@@H](C)c2ccsc2)cc1 ZINC000050337716 384699828 /nfs/dbraw/zinc/69/98/28/384699828.db2.gz ZJVXLPSDZYSBFA-JTQLQIEISA-N 0 0 249.404 4.643 20 0 BJADRN CSc1ccc(N[C@H](C)c2ccsc2)cc1 ZINC000050337719 384699875 /nfs/dbraw/zinc/69/98/75/384699875.db2.gz ZJVXLPSDZYSBFA-SNVBAGLBSA-N 0 0 249.404 4.643 20 0 BJADRN C[C@H](Nc1cccc(Cl)c1)c1ccsc1 ZINC000050338031 322850876 /nfs/dbraw/zinc/85/08/76/322850876.db2.gz PCVQRXSYAPURQM-VIFPVBQESA-N 0 0 237.755 4.575 20 0 BJADRN C[C@@H](Nc1cccc(Cl)c1)c1ccsc1 ZINC000050338033 322850778 /nfs/dbraw/zinc/85/07/78/322850778.db2.gz 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Fc1ccc(-c2csc(C3CCCC3)n2)cc1 ZINC000075840769 398045470 /nfs/dbraw/zinc/04/54/70/398045470.db2.gz GXIUEEVJIMFMCO-UHFFFAOYSA-N 0 0 247.338 4.607 20 0 BJADRN Fc1cccc(-c2csc(C3CCCC3)n2)c1 ZINC000075840770 398045573 /nfs/dbraw/zinc/04/55/73/398045573.db2.gz NMJFVRCQCAJGLI-UHFFFAOYSA-N 0 0 247.338 4.607 20 0 BJADRN Fc1ccccc1-c1csc(C2CCCC2)n1 ZINC000075840772 181009581 /nfs/dbraw/zinc/00/95/81/181009581.db2.gz GIPGSMVWEJEBBW-UHFFFAOYSA-N 0 0 247.338 4.607 20 0 BJADRN CC(C)c1cccc(Nc2ccccc2)c1 ZINC000080434886 359878145 /nfs/dbraw/zinc/87/81/45/359878145.db2.gz HGPGHEGQPUAGHX-UHFFFAOYSA-N 0 0 211.308 4.554 20 0 BJADRN Cc1ccc(NCc2c(C)cccc2C)cc1C ZINC000083367348 384765022 /nfs/dbraw/zinc/76/50/22/384765022.db2.gz GJRXGUYMNJFGPQ-UHFFFAOYSA-N 0 0 239.362 4.532 20 0 BJADRN Cc1cccc(C)c1CNc1c(C)cccc1C ZINC000083367354 179038503 /nfs/dbraw/zinc/03/85/03/179038503.db2.gz RAXYHRLPGKANGU-UHFFFAOYSA-N 0 0 239.362 4.532 20 0 BJADRN Cc1cc(C)cc(NCc2c(C)cccc2C)c1 ZINC000083367356 177910309 /nfs/dbraw/zinc/91/03/09/177910309.db2.gz QIJDNTOUHFMKRA-UHFFFAOYSA-N 0 0 239.362 4.532 20 0 BJADRN Cc1ccc(C)c(NCc2c(C)cccc2C)c1 ZINC000083367360 631424345 /nfs/dbraw/zinc/42/43/45/631424345.db2.gz ILLPNODNIQWDFA-UHFFFAOYSA-N 0 0 239.362 4.532 20 0 BJADRN Cc1cccc(NCc2c(C)cccc2C)c1C ZINC000083367361 179148404 /nfs/dbraw/zinc/14/84/04/179148404.db2.gz PBVAMAPOVGXTBS-UHFFFAOYSA-N 0 0 239.362 4.532 20 0 BJADRN Cc1ccc(NCc2c(C)cccc2C)c(C)c1 ZINC000083367362 387404528 /nfs/dbraw/zinc/40/45/28/387404528.db2.gz WMBLMGCMEBJADX-UHFFFAOYSA-N 0 0 239.362 4.532 20 0 BJADRN Cc1ccsc1[C@@H](C)Nc1cc(C)cc(F)c1 ZINC000091510169 384131281 /nfs/dbraw/zinc/13/12/81/384131281.db2.gz SIYVHOHMNZARCP-LLVKDONJSA-N 0 0 249.354 4.677 20 0 BJADRN Cc1ccsc1[C@H](C)Nc1cc(C)cc(F)c1 ZINC000091510171 384130874 /nfs/dbraw/zinc/13/08/74/384130874.db2.gz SIYVHOHMNZARCP-NSHDSACASA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@H](C)Nc2cc(C)cc(F)c2)c(C)o1 ZINC000091511001 541344394 /nfs/dbraw/zinc/34/43/94/541344394.db2.gz WWXHGMYIZJPXMQ-NSHDSACASA-N 0 0 247.313 4.517 20 0 BJADRN Cc1cc([C@@H](C)Nc2cc(C)cc(F)c2)c(C)o1 ZINC000091511003 541344336 /nfs/dbraw/zinc/34/43/36/541344336.db2.gz WWXHGMYIZJPXMQ-LLVKDONJSA-N 0 0 247.313 4.517 20 0 BJADRN Cc1ccc([C@@H](C)Nc2cc(C)cc(F)c2)s1 ZINC000091511102 384129871 /nfs/dbraw/zinc/12/98/71/384129871.db2.gz HJVBBVAAAPDMMD-LLVKDONJSA-N 0 0 249.354 4.677 20 0 BJADRN Cc1ccc([C@H](C)Nc2cc(C)cc(F)c2)s1 ZINC000091511104 383974340 /nfs/dbraw/zinc/97/43/40/383974340.db2.gz HJVBBVAAAPDMMD-NSHDSACASA-N 0 0 249.354 4.677 20 0 BJADRN C[C@H](Nc1cccc2ccccc21)c1ccoc1 ZINC000094867354 322977570 /nfs/dbraw/zinc/97/75/70/322977570.db2.gz NKDZXEOIVCKJGO-LBPRGKRZSA-N 0 0 237.302 4.606 20 0 BJADRN C[C@@H](Nc1cccc2ccccc21)c1ccoc1 ZINC000094867355 322977571 /nfs/dbraw/zinc/97/75/71/322977571.db2.gz NKDZXEOIVCKJGO-GFCCVEGCSA-N 0 0 237.302 4.606 20 0 BJADRN C[C@H](Nc1ccc(C(C)(C)C)cc1)c1ccoc1 ZINC000094867394 490399543 /nfs/dbraw/zinc/39/95/43/490399543.db2.gz IKBFOGSYBAXHGY-LBPRGKRZSA-N 0 0 243.350 4.750 20 0 BJADRN C[C@@H](Nc1ccc(C(C)(C)C)cc1)c1ccoc1 ZINC000094867395 490399651 /nfs/dbraw/zinc/39/96/51/490399651.db2.gz IKBFOGSYBAXHGY-GFCCVEGCSA-N 0 0 243.350 4.750 20 0 BJADRN CC(C)c1ccc(N[C@@H](C)c2ccoc2)cc1 ZINC000094867450 322971764 /nfs/dbraw/zinc/97/17/64/322971764.db2.gz SHJNJTMDRJYKRK-LBPRGKRZSA-N 0 0 229.323 4.576 20 0 BJADRN CC(C)c1ccc(N[C@H](C)c2ccoc2)cc1 ZINC000094867451 322977727 /nfs/dbraw/zinc/97/77/27/322977727.db2.gz SHJNJTMDRJYKRK-GFCCVEGCSA-N 0 0 229.323 4.576 20 0 BJADRN CC(C)c1cccc(N[C@@H](C)c2ccoc2)c1 ZINC000094867638 388874432 /nfs/dbraw/zinc/87/44/32/388874432.db2.gz CIBFYVMDLQPANP-LBPRGKRZSA-N 0 0 229.323 4.576 20 0 BJADRN CC(C)c1cccc(N[C@H](C)c2ccoc2)c1 ZINC000094867639 388874163 /nfs/dbraw/zinc/87/41/63/388874163.db2.gz CIBFYVMDLQPANP-GFCCVEGCSA-N 0 0 229.323 4.576 20 0 BJADRN C[C@H](Nc1ccc2ccccc2c1)c1ccoc1 ZINC000094867958 644732989 /nfs/dbraw/zinc/73/29/89/644732989.db2.gz FHDPFLMQMKHCBJ-LBPRGKRZSA-N 0 0 237.302 4.606 20 0 BJADRN C[C@@H](Nc1ccc2ccccc2c1)c1ccoc1 ZINC000094867959 644732209 /nfs/dbraw/zinc/73/22/09/644732209.db2.gz FHDPFLMQMKHCBJ-GFCCVEGCSA-N 0 0 237.302 4.606 20 0 BJADRN c1cc(-c2ccccc2)oc1CNc1ccccc1 ZINC000106948041 387987093 /nfs/dbraw/zinc/98/70/93/387987093.db2.gz YVMPQUJWZYAFSU-UHFFFAOYSA-N 0 0 249.313 4.559 20 0 BJADRN CCC[C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000109703761 384630356 /nfs/dbraw/zinc/63/03/56/384630356.db2.gz QHGGXPDZKXZALT-CYBMUJFWSA-N 0 0 247.382 4.575 20 0 BJADRN CCC[C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000109703763 322836064 /nfs/dbraw/zinc/83/60/64/322836064.db2.gz QHGGXPDZKXZALT-ZDUSSCGKSA-N 0 0 247.382 4.575 20 0 BJADRN CC[C@H](Nc1cscc1C)c1ccccc1 ZINC000134324611 325354140 /nfs/dbraw/zinc/35/41/40/325354140.db2.gz FCJCSZTUSRPQBP-ZDUSSCGKSA-N 0 0 231.364 4.620 20 0 BJADRN CC[C@@H](Nc1cscc1C)c1ccccc1 ZINC000134324633 325353992 /nfs/dbraw/zinc/35/39/92/325353992.db2.gz FCJCSZTUSRPQBP-CYBMUJFWSA-N 0 0 231.364 4.620 20 0 BJADRN CC[C@H](Nc1cscc1C)c1cccs1 ZINC000134324805 325354152 /nfs/dbraw/zinc/35/41/52/325354152.db2.gz LBILKRNZHMLBPU-JTQLQIEISA-N 0 0 237.393 4.681 20 0 BJADRN CC[C@@H](Nc1cscc1C)c1cccs1 ZINC000134324825 325354035 /nfs/dbraw/zinc/35/40/35/325354035.db2.gz LBILKRNZHMLBPU-SNVBAGLBSA-N 0 0 237.393 4.681 20 0 BJADRN Cc1cscc1N[C@H](C)c1cccc(C)c1 ZINC000134326536 323198217 /nfs/dbraw/zinc/19/82/17/323198217.db2.gz XZHLFDMCCWPBRX-GFCCVEGCSA-N 0 0 231.364 4.538 20 0 BJADRN Cc1cscc1N[C@@H](C)c1cccc(C)c1 ZINC000134326559 323023464 /nfs/dbraw/zinc/02/34/64/323023464.db2.gz XZHLFDMCCWPBRX-LBPRGKRZSA-N 0 0 231.364 4.538 20 0 BJADRN Cc1cscc1N[C@@H]1CCCc2sccc21 ZINC000134327362 323023369 /nfs/dbraw/zinc/02/33/69/323023369.db2.gz RSVKOZREUSILEP-LLVKDONJSA-N 0 0 249.404 4.608 20 0 BJADRN Cc1cscc1N[C@H]1CCCc2sccc21 ZINC000134327386 325353916 /nfs/dbraw/zinc/35/39/16/325353916.db2.gz RSVKOZREUSILEP-NSHDSACASA-N 0 0 249.404 4.608 20 0 BJADRN Cc1ccc([C@@H](C)Nc2cscc2C)s1 ZINC000134327416 325353954 /nfs/dbraw/zinc/35/39/54/325353954.db2.gz AYFVGHBRQFHNAH-SNVBAGLBSA-N 0 0 237.393 4.600 20 0 BJADRN Cc1ccc([C@H](C)Nc2cscc2C)s1 ZINC000134327441 325354091 /nfs/dbraw/zinc/35/40/91/325354091.db2.gz AYFVGHBRQFHNAH-JTQLQIEISA-N 0 0 237.393 4.600 20 0 BJADRN Cc1ccsc1[C@@H](C)Nc1cscc1C ZINC000134328050 325354167 /nfs/dbraw/zinc/35/41/67/325354167.db2.gz LSZXFFLWEQDFKH-SNVBAGLBSA-N 0 0 237.393 4.600 20 0 BJADRN Cc1ccsc1[C@H](C)Nc1cscc1C ZINC000134328077 325353995 /nfs/dbraw/zinc/35/39/95/325353995.db2.gz LSZXFFLWEQDFKH-JTQLQIEISA-N 0 0 237.393 4.600 20 0 BJADRN Cc1cscc1N[C@H](C)c1ccc(C)cc1 ZINC000134329122 323023462 /nfs/dbraw/zinc/02/34/62/323023462.db2.gz MFTZIJOBXWGVDN-GFCCVEGCSA-N 0 0 231.364 4.538 20 0 BJADRN Cc1cscc1N[C@@H](C)c1ccc(C)cc1 ZINC000134329146 325354169 /nfs/dbraw/zinc/35/41/69/325354169.db2.gz MFTZIJOBXWGVDN-LBPRGKRZSA-N 0 0 231.364 4.538 20 0 BJADRN CC(C)c1csc(-c2cccc(Cl)c2)n1 ZINC000134609052 325367393 /nfs/dbraw/zinc/36/73/93/325367393.db2.gz GROCBGHITSLMEN-UHFFFAOYSA-N 0 0 237.755 4.587 20 0 BJADRN CC(C)c1csc(-c2ccc(Cl)cc2)n1 ZINC000134609083 342873425 /nfs/dbraw/zinc/87/34/25/342873425.db2.gz HXHOTUCWOHNEDF-UHFFFAOYSA-N 0 0 237.755 4.587 20 0 BJADRN CC(C)c1ccc(-c2nc(C3CC3)cs2)cc1 ZINC000134615512 325367733 /nfs/dbraw/zinc/36/77/33/325367733.db2.gz ITSWXXBZPFBJFZ-UHFFFAOYSA-N 0 0 243.375 4.811 20 0 BJADRN CC(C)c1csc(-c2cc3ccccc3o2)n1 ZINC000134616665 323025044 /nfs/dbraw/zinc/02/50/44/323025044.db2.gz QICGRNUYAVZFKP-UHFFFAOYSA-N 0 0 243.331 4.680 20 0 BJADRN CCCc1csc(-c2cc3ccccc3o2)n1 ZINC000134714933 323245698 /nfs/dbraw/zinc/24/56/98/323245698.db2.gz LMJCAZCANWHUDU-UHFFFAOYSA-N 0 0 243.331 4.509 20 0 BJADRN Clc1cccc2nc(-c3ccccc3)sc21 ZINC000136731632 364487071 /nfs/dbraw/zinc/48/70/71/364487071.db2.gz VMZHCIMYHJIMEW-UHFFFAOYSA-N 0 0 245.734 4.617 20 0 BJADRN C[C@H](Sc1ccccc1)c1ccc(F)cc1 ZINC000136910511 364495703 /nfs/dbraw/zinc/49/57/03/364495703.db2.gz WJTSXBVLLVJJNN-NSHDSACASA-N 0 0 232.323 4.679 20 0 BJADRN C[C@@H](Sc1ccccc1)c1ccc(F)cc1 ZINC000136910547 345680024 /nfs/dbraw/zinc/68/00/24/345680024.db2.gz WJTSXBVLLVJJNN-LLVKDONJSA-N 0 0 232.323 4.679 20 0 BJADRN CC(C)c1nc(-c2cccc(Cl)c2)cs1 ZINC000142721601 345701212 /nfs/dbraw/zinc/70/12/12/345701212.db2.gz QZJMEKQGVDCSEP-UHFFFAOYSA-N 0 0 237.755 4.587 20 0 BJADRN CC(C)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000142722012 345701700 /nfs/dbraw/zinc/70/17/00/345701700.db2.gz LEJAOMFOWPTKHD-UHFFFAOYSA-N 0 0 237.755 4.587 20 0 BJADRN CCS[C@@H](C)c1cccc2ccccc21 ZINC000145789197 364671916 /nfs/dbraw/zinc/67/19/16/364671916.db2.gz AWNJINLMTCTBKM-NSHDSACASA-N 0 0 216.349 4.654 20 0 BJADRN CCS[C@H](C)c1cccc2ccccc21 ZINC000145789425 345711733 /nfs/dbraw/zinc/71/17/33/345711733.db2.gz AWNJINLMTCTBKM-LLVKDONJSA-N 0 0 216.349 4.654 20 0 BJADRN CC[C@@H](Sc1ccc(O)cc1)c1ccccc1 ZINC000148101284 364697688 /nfs/dbraw/zinc/69/76/88/364697688.db2.gz NHLLVBJAJFTCJH-OAHLLOKOSA-N 0 0 244.359 4.636 20 0 BJADRN CC[C@H](Sc1ccc(O)cc1)c1ccccc1 ZINC000148101503 345718688 /nfs/dbraw/zinc/71/86/88/345718688.db2.gz NHLLVBJAJFTCJH-HNNXBMFYSA-N 0 0 244.359 4.636 20 0 BJADRN Cc1cccc(NCc2ccc(C(F)F)cc2)c1 ZINC000150048226 192912978 /nfs/dbraw/zinc/91/29/78/192912978.db2.gz DDEZACOFSQLATG-UHFFFAOYSA-N 0 0 247.288 4.545 20 0 BJADRN Cc1ccc(NCc2ccc(C(F)F)cc2)cc1 ZINC000150065882 192913626 /nfs/dbraw/zinc/91/36/26/192913626.db2.gz MCNDDXCHGVANKY-UHFFFAOYSA-N 0 0 247.288 4.545 20 0 BJADRN Cc1ccccc1NCc1ccc(C(F)F)cc1 ZINC000150066758 534824089 /nfs/dbraw/zinc/82/40/89/534824089.db2.gz FVKMOICTPCUSBD-UHFFFAOYSA-N 0 0 247.288 4.545 20 0 BJADRN c1ccc(-c2ccc3oc4ccccc4c3c2)nc1 ZINC000150285062 541430419 /nfs/dbraw/zinc/43/04/19/541430419.db2.gz AZJKWAHDIFTUDS-UHFFFAOYSA-N 0 0 245.281 4.648 20 0 BJADRN Cc1cccc(NCc2cccc(C(F)F)c2)c1 ZINC000155959762 201377095 /nfs/dbraw/zinc/37/70/95/201377095.db2.gz NLRSAMZSURUAKV-UHFFFAOYSA-N 0 0 247.288 4.545 20 0 BJADRN Cc1ccc(NCc2cccc(C(F)F)c2)cc1 ZINC000155969639 201378296 /nfs/dbraw/zinc/37/82/96/201378296.db2.gz OUAJDZMJDLMASH-UHFFFAOYSA-N 0 0 247.288 4.545 20 0 BJADRN Cc1ccccc1NCc1cccc(C(F)F)c1 ZINC000155970149 201378804 /nfs/dbraw/zinc/37/88/04/201378804.db2.gz NBRJUGJHWILDHV-UHFFFAOYSA-N 0 0 247.288 4.545 20 0 BJADRN CC(C)S[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000157942053 326301058 /nfs/dbraw/zinc/30/10/58/326301058.db2.gz CUSQDIKJAJKGSM-NSHDSACASA-N 0 0 247.363 4.544 20 0 BJADRN CC(C)S[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000157942194 326301223 /nfs/dbraw/zinc/30/12/23/326301223.db2.gz CUSQDIKJAJKGSM-LLVKDONJSA-N 0 0 247.363 4.544 20 0 BJADRN CC[C@H](SCc1nccs1)c1ccccc1 ZINC000161666644 219862491 /nfs/dbraw/zinc/86/24/91/219862491.db2.gz YFWCKZGJKDJUBB-LBPRGKRZSA-N 0 0 249.404 4.528 20 0 BJADRN CC[C@@H](SCc1nccs1)c1ccccc1 ZINC000161666783 385436132 /nfs/dbraw/zinc/43/61/32/385436132.db2.gz YFWCKZGJKDJUBB-GFCCVEGCSA-N 0 0 249.404 4.528 20 0 BJADRN Cc1cccc(N[C@@H](C)CCCC(F)(F)F)c1 ZINC000163180630 386644966 /nfs/dbraw/zinc/64/49/66/386644966.db2.gz SZPIVYXHPZIDSE-NSHDSACASA-N 0 0 245.288 4.528 20 0 BJADRN Cc1cccc(N[C@H](C)CCCC(F)(F)F)c1 ZINC000163180731 202246918 /nfs/dbraw/zinc/24/69/18/202246918.db2.gz SZPIVYXHPZIDSE-LLVKDONJSA-N 0 0 245.288 4.528 20 0 BJADRN Cc1ccc(N[C@@H](C)CCCC(F)(F)F)cc1 ZINC000163208937 202268065 /nfs/dbraw/zinc/26/80/65/202268065.db2.gz SVHZNRNBMMKYKE-NSHDSACASA-N 0 0 245.288 4.528 20 0 BJADRN Cc1ccc(N[C@H](C)CCCC(F)(F)F)cc1 ZINC000163209034 202268268 /nfs/dbraw/zinc/26/82/68/202268268.db2.gz SVHZNRNBMMKYKE-LLVKDONJSA-N 0 0 245.288 4.528 20 0 BJADRN Cc1ccccc1N[C@@H](C)CCCC(F)(F)F ZINC000163209803 202268895 /nfs/dbraw/zinc/26/88/95/202268895.db2.gz NHEPOMZZNIDOQV-NSHDSACASA-N 0 0 245.288 4.528 20 0 BJADRN Cc1ccccc1N[C@H](C)CCCC(F)(F)F ZINC000163209915 202268854 /nfs/dbraw/zinc/26/88/54/202268854.db2.gz NHEPOMZZNIDOQV-LLVKDONJSA-N 0 0 245.288 4.528 20 0 BJADRN CC(C)S[C@@H](C)c1ccccc1Cl ZINC000167090876 346698061 /nfs/dbraw/zinc/69/80/61/346698061.db2.gz UWBSFMLDDUHNSG-VIFPVBQESA-N 0 0 214.761 4.543 20 0 BJADRN CC(C)S[C@H](C)c1ccccc1Cl ZINC000167090981 361861665 /nfs/dbraw/zinc/86/16/65/361861665.db2.gz UWBSFMLDDUHNSG-SECBINFHSA-N 0 0 214.761 4.543 20 0 BJADRN C[C@H](Nc1cccc(C(F)F)c1)c1ccccc1 ZINC000171121155 372326688 /nfs/dbraw/zinc/32/66/88/372326688.db2.gz RDZKFMDTLZVEIA-NSHDSACASA-N 0 0 247.288 4.797 20 0 BJADRN C[C@@H](Nc1cccc(C(F)F)c1)c1ccccc1 ZINC000171121158 372326699 /nfs/dbraw/zinc/32/66/99/372326699.db2.gz RDZKFMDTLZVEIA-LLVKDONJSA-N 0 0 247.288 4.797 20 0 BJADRN CCSc1cccc(N[C@@H](C)c2ccoc2)c1 ZINC000179879445 366329086 /nfs/dbraw/zinc/32/90/86/366329086.db2.gz PZICHCWJLXGFLK-NSHDSACASA-N 0 0 247.363 4.565 20 0 BJADRN CCSc1cccc(N[C@H](C)c2ccoc2)c1 ZINC000179879460 366328555 /nfs/dbraw/zinc/32/85/55/366328555.db2.gz PZICHCWJLXGFLK-LLVKDONJSA-N 0 0 247.363 4.565 20 0 BJADRN C[C@H](SC1CCCC1)c1nc2ccccc2o1 ZINC000182210939 347088859 /nfs/dbraw/zinc/08/88/59/347088859.db2.gz LCHSGSKBLDJMFS-JTQLQIEISA-N 0 0 247.363 4.565 20 0 BJADRN C[C@@H](SC1CCCC1)c1nc2ccccc2o1 ZINC000182210954 366875996 /nfs/dbraw/zinc/87/59/96/366875996.db2.gz LCHSGSKBLDJMFS-SNVBAGLBSA-N 0 0 247.363 4.565 20 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/nfs/dbraw/zinc/47/27/57/356472757.db2.gz CDZUTKNNISGOAS-SECBINFHSA-N 0 0 214.761 4.544 20 0 BJADRN CCCS[C@@H](C)c1ccc(Cl)cc1 ZINC000379395879 356472742 /nfs/dbraw/zinc/47/27/42/356472742.db2.gz CDZUTKNNISGOAS-VIFPVBQESA-N 0 0 214.761 4.544 20 0 BJADRN CCCS[C@H](C)c1cccc(Cl)c1 ZINC000379406010 356912907 /nfs/dbraw/zinc/91/29/07/356912907.db2.gz VIOSJTGIOBPNID-SECBINFHSA-N 0 0 214.761 4.544 20 0 BJADRN CCCS[C@@H](C)c1cccc(Cl)c1 ZINC000379406011 356912748 /nfs/dbraw/zinc/91/27/48/356912748.db2.gz VIOSJTGIOBPNID-VIFPVBQESA-N 0 0 214.761 4.544 20 0 BJADRN Cc1cscc1N[C@H](C)c1ccccc1C ZINC000381220593 344209943 /nfs/dbraw/zinc/20/99/43/344209943.db2.gz IQLYUALUYPNIJR-GFCCVEGCSA-N 0 0 231.364 4.538 20 0 BJADRN Cc1cscc1N[C@@H](C)c1ccccc1C ZINC000381220594 344209776 /nfs/dbraw/zinc/20/97/76/344209776.db2.gz IQLYUALUYPNIJR-LBPRGKRZSA-N 0 0 231.364 4.538 20 0 BJADRN Cc1cc([C@@H](C)Nc2cc(C)ccc2F)cs1 ZINC000381342064 367383879 /nfs/dbraw/zinc/38/38/79/367383879.db2.gz FMDUVBILAWDLHD-LLVKDONJSA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@H](C)Nc2cc(C)ccc2F)cs1 ZINC000381342094 345410337 /nfs/dbraw/zinc/41/03/37/345410337.db2.gz FMDUVBILAWDLHD-NSHDSACASA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@@H](C)Nc2cccc(C)c2)cs1 ZINC000381342235 345411644 /nfs/dbraw/zinc/41/16/44/345411644.db2.gz FNRLLLLZDWIFHK-GFCCVEGCSA-N 0 0 231.364 4.538 20 0 BJADRN Cc1cc([C@H](C)Nc2cccc(C)c2)cs1 ZINC000381342239 345411542 /nfs/dbraw/zinc/41/15/42/345411542.db2.gz FNRLLLLZDWIFHK-LBPRGKRZSA-N 0 0 231.364 4.538 20 0 BJADRN Cc1cc([C@@H](C)Nc2ccc(F)c(C)c2)cs1 ZINC000381345583 367384324 /nfs/dbraw/zinc/38/43/24/367384324.db2.gz GLXNTTJENCUWQY-LLVKDONJSA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@H](C)Nc2ccc(F)c(C)c2)cs1 ZINC000381345585 367383970 /nfs/dbraw/zinc/38/39/70/367383970.db2.gz GLXNTTJENCUWQY-NSHDSACASA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@@H](C)Nc2ccc(C)cc2F)cs1 ZINC000381348463 367385865 /nfs/dbraw/zinc/38/58/65/367385865.db2.gz HHZMGKCEORJTDJ-LLVKDONJSA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@H](C)Nc2ccc(C)cc2F)cs1 ZINC000381348466 367385685 /nfs/dbraw/zinc/38/56/85/367385685.db2.gz HHZMGKCEORJTDJ-NSHDSACASA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@@H](C)Nc2cc(C)ccc2C)cs1 ZINC000381364363 367388614 /nfs/dbraw/zinc/38/86/14/367388614.db2.gz KYZIFURAXYGDFL-CYBMUJFWSA-N 0 0 245.391 4.846 20 0 BJADRN Cc1cc([C@H](C)Nc2cc(C)ccc2C)cs1 ZINC000381364367 367388907 /nfs/dbraw/zinc/38/89/07/367388907.db2.gz KYZIFURAXYGDFL-ZDUSSCGKSA-N 0 0 245.391 4.846 20 0 BJADRN Cc1cc([C@@H](C)Nc2cccc(F)c2C)cs1 ZINC000381368649 367388841 /nfs/dbraw/zinc/38/88/41/367388841.db2.gz LXCJDVRYBBDCLY-LLVKDONJSA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@H](C)Nc2cccc(F)c2C)cs1 ZINC000381368653 367389239 /nfs/dbraw/zinc/38/92/39/367389239.db2.gz LXCJDVRYBBDCLY-NSHDSACASA-N 0 0 249.354 4.677 20 0 BJADRN CCc1ccccc1N[C@H](C)c1csc(C)c1 ZINC000381368669 367389100 /nfs/dbraw/zinc/38/91/00/367389100.db2.gz LXERQQDHKNZIAP-GFCCVEGCSA-N 0 0 245.391 4.792 20 0 BJADRN CCc1ccccc1N[C@@H](C)c1csc(C)c1 ZINC000381368672 367388695 /nfs/dbraw/zinc/38/86/95/367388695.db2.gz LXERQQDHKNZIAP-LBPRGKRZSA-N 0 0 245.391 4.792 20 0 BJADRN Cc1cc([C@@H](C)Nc2cccc(C)c2F)cs1 ZINC000381370787 367388712 /nfs/dbraw/zinc/38/87/12/367388712.db2.gz MMSJWRFQWJYVBB-LLVKDONJSA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@H](C)Nc2cccc(C)c2F)cs1 ZINC000381370790 367389302 /nfs/dbraw/zinc/38/93/02/367389302.db2.gz MMSJWRFQWJYVBB-NSHDSACASA-N 0 0 249.354 4.677 20 0 BJADRN CCc1cccc(N[C@H](C)c2csc(C)c2)c1 ZINC000381375651 367390390 /nfs/dbraw/zinc/39/03/90/367390390.db2.gz NYYZWDGJVXWFSG-GFCCVEGCSA-N 0 0 245.391 4.792 20 0 BJADRN CCc1cccc(N[C@@H](C)c2csc(C)c2)c1 ZINC000381375653 367390443 /nfs/dbraw/zinc/39/04/43/367390443.db2.gz NYYZWDGJVXWFSG-LBPRGKRZSA-N 0 0 245.391 4.792 20 0 BJADRN Cc1cc([C@@H](C)Nc2ccc(C)c(F)c2)cs1 ZINC000381385689 345783142 /nfs/dbraw/zinc/78/31/42/345783142.db2.gz QMIAOFRJLITYAV-LLVKDONJSA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@H](C)Nc2ccc(C)c(F)c2)cs1 ZINC000381385690 345783039 /nfs/dbraw/zinc/78/30/39/345783039.db2.gz QMIAOFRJLITYAV-NSHDSACASA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@@H](C)Nc2cc(F)ccc2C)cs1 ZINC000381388623 367392909 /nfs/dbraw/zinc/39/29/09/367392909.db2.gz RIBDNSBDLBLDDH-LLVKDONJSA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@H](C)Nc2cc(F)ccc2C)cs1 ZINC000381388624 367392853 /nfs/dbraw/zinc/39/28/53/367392853.db2.gz RIBDNSBDLBLDDH-NSHDSACASA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@@H](C)Nc2ccc(C)cc2C)cs1 ZINC000381398763 345802441 /nfs/dbraw/zinc/80/24/41/345802441.db2.gz URMMDGCYZKFVAK-CYBMUJFWSA-N 0 0 245.391 4.846 20 0 BJADRN Cc1cc([C@H](C)Nc2ccc(C)cc2C)cs1 ZINC000381398764 345802240 /nfs/dbraw/zinc/80/22/40/345802240.db2.gz URMMDGCYZKFVAK-ZDUSSCGKSA-N 0 0 245.391 4.846 20 0 BJADRN CC[C@H](Nc1ccc(C)cc1)c1ccsc1 ZINC000382068859 367483007 /nfs/dbraw/zinc/48/30/07/367483007.db2.gz BWMLTRXHCYENMM-AWEZNQCLSA-N 0 0 231.364 4.620 20 0 BJADRN CC[C@@H](Nc1ccc(C)cc1)c1ccsc1 ZINC000382068860 347129220 /nfs/dbraw/zinc/12/92/20/347129220.db2.gz BWMLTRXHCYENMM-CQSZACIVSA-N 0 0 231.364 4.620 20 0 BJADRN CCc1ccc(N[C@@H](CC)c2ccsc2)cc1 ZINC000382069694 367482933 /nfs/dbraw/zinc/48/29/33/367482933.db2.gz BZSDZGUNAUAWQW-HNNXBMFYSA-N 0 0 245.391 4.874 20 0 BJADRN CCc1ccc(N[C@H](CC)c2ccsc2)cc1 ZINC000382069706 367482236 /nfs/dbraw/zinc/48/22/36/367482236.db2.gz BZSDZGUNAUAWQW-OAHLLOKOSA-N 0 0 245.391 4.874 20 0 BJADRN CC[C@H](Nc1cc(C)ccc1C)c1ccsc1 ZINC000382074740 347136238 /nfs/dbraw/zinc/13/62/38/347136238.db2.gz CWDPJIWCIUGPGX-AWEZNQCLSA-N 0 0 245.391 4.928 20 0 BJADRN CC[C@@H](Nc1cc(C)ccc1C)c1ccsc1 ZINC000382074742 347136291 /nfs/dbraw/zinc/13/62/91/347136291.db2.gz CWDPJIWCIUGPGX-CQSZACIVSA-N 0 0 245.391 4.928 20 0 BJADRN CC[C@H](Nc1cccc(C)c1)c1ccsc1 ZINC000382079627 367484054 /nfs/dbraw/zinc/48/40/54/367484054.db2.gz DXUGUIBCMAAGGZ-AWEZNQCLSA-N 0 0 231.364 4.620 20 0 BJADRN CC[C@@H](Nc1cccc(C)c1)c1ccsc1 ZINC000382079629 367484465 /nfs/dbraw/zinc/48/44/65/367484465.db2.gz DXUGUIBCMAAGGZ-CQSZACIVSA-N 0 0 231.364 4.620 20 0 BJADRN CC[C@@H](Nc1cc(C)ccc1F)c1ccsc1 ZINC000382082633 347145898 /nfs/dbraw/zinc/14/58/98/347145898.db2.gz FQMBKYRWYVTYJF-CYBMUJFWSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@H](Nc1cc(C)ccc1F)c1ccsc1 ZINC000382082637 347146100 /nfs/dbraw/zinc/14/61/00/347146100.db2.gz FQMBKYRWYVTYJF-ZDUSSCGKSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@H](Nc1cc(C)cc(F)c1)c1ccsc1 ZINC000382084992 367484003 /nfs/dbraw/zinc/48/40/03/367484003.db2.gz GDCJNLBWOLVRFM-AWEZNQCLSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@@H](Nc1cc(C)cc(F)c1)c1ccsc1 ZINC000382084993 347147389 /nfs/dbraw/zinc/14/73/89/347147389.db2.gz GDCJNLBWOLVRFM-CQSZACIVSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@@H](Nc1cccc(C)c1F)c1ccsc1 ZINC000382101804 367485512 /nfs/dbraw/zinc/48/55/12/367485512.db2.gz JFMWRLNRKCIAGE-GFCCVEGCSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@H](Nc1cccc(C)c1F)c1ccsc1 ZINC000382101807 347169769 /nfs/dbraw/zinc/16/97/69/347169769.db2.gz JFMWRLNRKCIAGE-LBPRGKRZSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@H](Nc1cccc(C)c1C)c1ccsc1 ZINC000382101978 367485334 /nfs/dbraw/zinc/48/53/34/367485334.db2.gz JIBSICVRHDMVQC-AWEZNQCLSA-N 0 0 245.391 4.928 20 0 BJADRN CC[C@@H](Nc1cccc(C)c1C)c1ccsc1 ZINC000382101982 367485498 /nfs/dbraw/zinc/48/54/98/367485498.db2.gz JIBSICVRHDMVQC-CQSZACIVSA-N 0 0 245.391 4.928 20 0 BJADRN CCc1ccccc1N[C@@H](CC)c1ccsc1 ZINC000382104184 367485623 /nfs/dbraw/zinc/48/56/23/367485623.db2.gz JSXNOOJKVXJGCK-AWEZNQCLSA-N 0 0 245.391 4.874 20 0 BJADRN CCc1ccccc1N[C@H](CC)c1ccsc1 ZINC000382104186 367486134 /nfs/dbraw/zinc/48/61/34/367486134.db2.gz JSXNOOJKVXJGCK-CQSZACIVSA-N 0 0 245.391 4.874 20 0 BJADRN CC[C@@H](Nc1cccc(F)c1C)c1ccsc1 ZINC000382133110 367489448 /nfs/dbraw/zinc/48/94/48/367489448.db2.gz PBPICNDNTAAKSR-CYBMUJFWSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@H](Nc1cccc(F)c1C)c1ccsc1 ZINC000382133111 367489938 /nfs/dbraw/zinc/48/99/38/367489938.db2.gz PBPICNDNTAAKSR-ZDUSSCGKSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@@H](Nc1ccc(C)cc1F)c1ccsc1 ZINC000382133280 367489677 /nfs/dbraw/zinc/48/96/77/367489677.db2.gz PEAAMLULKVORBS-CYBMUJFWSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@H](Nc1ccc(C)cc1F)c1ccsc1 ZINC000382133283 367489592 /nfs/dbraw/zinc/48/95/92/367489592.db2.gz PEAAMLULKVORBS-ZDUSSCGKSA-N 0 0 249.354 4.759 20 0 BJADRN CCc1cccc(N[C@@H](CC)c2ccsc2)c1 ZINC000382140791 367489817 /nfs/dbraw/zinc/48/98/17/367489817.db2.gz QPTUOSWTHCFHEV-HNNXBMFYSA-N 0 0 245.391 4.874 20 0 BJADRN CCc1cccc(N[C@H](CC)c2ccsc2)c1 ZINC000382140797 367489933 /nfs/dbraw/zinc/48/99/33/367489933.db2.gz QPTUOSWTHCFHEV-OAHLLOKOSA-N 0 0 245.391 4.874 20 0 BJADRN CC[C@@H](Nc1ccc(F)cc1C)c1ccsc1 ZINC000382159527 367491741 /nfs/dbraw/zinc/49/17/41/367491741.db2.gz UHIVBDHNENMVNX-CYBMUJFWSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@H](Nc1ccc(F)cc1C)c1ccsc1 ZINC000382159529 367492097 /nfs/dbraw/zinc/49/20/97/367492097.db2.gz UHIVBDHNENMVNX-ZDUSSCGKSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@H](Nc1ccc(C)c(F)c1)c1ccsc1 ZINC000382168868 367493408 /nfs/dbraw/zinc/49/34/08/367493408.db2.gz VUPLNVHQFRDUPC-AWEZNQCLSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@@H](Nc1ccc(C)c(F)c1)c1ccsc1 ZINC000382168872 367492981 /nfs/dbraw/zinc/49/29/81/367492981.db2.gz VUPLNVHQFRDUPC-CQSZACIVSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@H](Nc1ccc(C)cc1C)c1ccsc1 ZINC000382183974 384792270 /nfs/dbraw/zinc/79/22/70/384792270.db2.gz YBZWNSSRYBVHAH-AWEZNQCLSA-N 0 0 245.391 4.928 20 0 BJADRN CC[C@@H](Nc1ccc(C)cc1C)c1ccsc1 ZINC000382183976 384793982 /nfs/dbraw/zinc/79/39/82/384793982.db2.gz YBZWNSSRYBVHAH-CQSZACIVSA-N 0 0 245.391 4.928 20 0 BJADRN CC[C@@H](Nc1cc(F)ccc1C)c1ccsc1 ZINC000382187442 367496291 /nfs/dbraw/zinc/49/62/91/367496291.db2.gz YMOVFZJRNJIPIM-CYBMUJFWSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@H](Nc1cc(F)ccc1C)c1ccsc1 ZINC000382187444 367496854 /nfs/dbraw/zinc/49/68/54/367496854.db2.gz YMOVFZJRNJIPIM-ZDUSSCGKSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@H](Nc1ccc(F)c(C)c1)c1ccsc1 ZINC000382188601 367496717 /nfs/dbraw/zinc/49/67/17/367496717.db2.gz YQTHMOVPSOHSTE-AWEZNQCLSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@@H](Nc1ccc(F)c(C)c1)c1ccsc1 ZINC000382188621 367496801 /nfs/dbraw/zinc/49/68/01/367496801.db2.gz YQTHMOVPSOHSTE-CQSZACIVSA-N 0 0 249.354 4.759 20 0 BJADRN Cc1sc(C(C)(C)C)nc1-c1ccc(F)cc1 ZINC000383331776 367614325 /nfs/dbraw/zinc/61/43/25/367614325.db2.gz QGIHHXRLMQVEND-UHFFFAOYSA-N 0 0 249.354 4.555 20 0 BJADRN Cc1cc([C@@H](C)Nc2cccc(C)c2F)c(C)o1 ZINC000385445073 585037185 /nfs/dbraw/zinc/03/71/85/585037185.db2.gz VSXGSYYSUNCDJH-LLVKDONJSA-N 0 0 247.313 4.517 20 0 BJADRN Cc1cc([C@H](C)Nc2cccc(C)c2F)c(C)o1 ZINC000385445078 585037173 /nfs/dbraw/zinc/03/71/73/585037173.db2.gz VSXGSYYSUNCDJH-NSHDSACASA-N 0 0 247.313 4.517 20 0 BJADRN C[C@H](Nc1cccc2ccsc21)c1ccco1 ZINC000386189416 367925277 /nfs/dbraw/zinc/92/52/77/367925277.db2.gz BMTZRUPOOLTFDE-JTQLQIEISA-N 0 0 243.331 4.667 20 0 BJADRN C[C@@H](Nc1cccc2ccsc21)c1ccco1 ZINC000386189419 367925442 /nfs/dbraw/zinc/92/54/42/367925442.db2.gz BMTZRUPOOLTFDE-SNVBAGLBSA-N 0 0 243.331 4.667 20 0 BJADRN CC1(C)CC[C@@H](Nc2cccc(C(F)F)c2)C1 ZINC000386196973 367927801 /nfs/dbraw/zinc/92/78/01/367927801.db2.gz QYEJEXNSKJPSOL-GFCCVEGCSA-N 0 0 239.309 4.615 20 0 BJADRN CC1(C)CC[C@H](Nc2cccc(C(F)F)c2)C1 ZINC000386196974 367927665 /nfs/dbraw/zinc/92/76/65/367927665.db2.gz QYEJEXNSKJPSOL-LBPRGKRZSA-N 0 0 239.309 4.615 20 0 BJADRN C[C@H](Nc1cccc2ccsc21)c1ccoc1 ZINC000386200418 367927270 /nfs/dbraw/zinc/92/72/70/367927270.db2.gz DYEXATNGKVXXHB-JTQLQIEISA-N 0 0 243.331 4.667 20 0 BJADRN C[C@@H](Nc1cccc2ccsc21)c1ccoc1 ZINC000386200426 367927294 /nfs/dbraw/zinc/92/72/94/367927294.db2.gz DYEXATNGKVXXHB-SNVBAGLBSA-N 0 0 243.331 4.667 20 0 BJADRN CC[C@@H](Nc1cscc1C)c1ccc(F)cc1 ZINC000387205364 368102852 /nfs/dbraw/zinc/10/28/52/368102852.db2.gz OZGNEHOWGZPENP-CYBMUJFWSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@H](Nc1cscc1C)c1ccc(F)cc1 ZINC000387205372 368102727 /nfs/dbraw/zinc/10/27/27/368102727.db2.gz OZGNEHOWGZPENP-ZDUSSCGKSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@@H](Nc1cscc1C)c1ccccc1F ZINC000387221727 368116118 /nfs/dbraw/zinc/11/61/18/368116118.db2.gz SRJHQNBWWNCQEE-CYBMUJFWSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@H](Nc1cscc1C)c1ccccc1F ZINC000387221729 368115216 /nfs/dbraw/zinc/11/52/16/368115216.db2.gz SRJHQNBWWNCQEE-ZDUSSCGKSA-N 0 0 249.354 4.759 20 0 BJADRN Cc1cscc1N[C@H]1CCCc2ccccc21 ZINC000387289888 368142899 /nfs/dbraw/zinc/14/28/99/368142899.db2.gz HXCKDYJHRCGVHI-AWEZNQCLSA-N 0 0 243.375 4.546 20 0 BJADRN Cc1cscc1N[C@@H]1CCCc2ccccc21 ZINC000387289892 368142334 /nfs/dbraw/zinc/14/23/34/368142334.db2.gz HXCKDYJHRCGVHI-CQSZACIVSA-N 0 0 243.375 4.546 20 0 BJADRN Cc1cscc1N[C@H]1C[C@H](C)c2ccccc21 ZINC000387365505 368161100 /nfs/dbraw/zinc/16/11/00/368161100.db2.gz VNULDYYOWORMHC-HZMBPMFUSA-N 0 0 243.375 4.717 20 0 BJADRN Cc1cscc1N[C@@H]1C[C@H](C)c2ccccc21 ZINC000387365516 368162274 /nfs/dbraw/zinc/16/22/74/368162274.db2.gz VNULDYYOWORMHC-IINYFYTJSA-N 0 0 243.375 4.717 20 0 BJADRN Cc1cscc1N[C@@H]1C[C@@H](C)c2ccccc21 ZINC000387365518 368162217 /nfs/dbraw/zinc/16/22/17/368162217.db2.gz VNULDYYOWORMHC-QMTHXVAHSA-N 0 0 243.375 4.717 20 0 BJADRN Cc1cscc1N[C@H]1C[C@@H](C)c2ccccc21 ZINC000387365522 368161984 /nfs/dbraw/zinc/16/19/84/368161984.db2.gz VNULDYYOWORMHC-YGRLFVJLSA-N 0 0 243.375 4.717 20 0 BJADRN CCCS[C@H](C)c1ccccc1Cl ZINC000388581244 349189406 /nfs/dbraw/zinc/18/94/06/349189406.db2.gz BMETVKRKMLCBLP-SECBINFHSA-N 0 0 214.761 4.544 20 0 BJADRN CCCS[C@@H](C)c1ccccc1Cl ZINC000388581250 349189401 /nfs/dbraw/zinc/18/94/01/349189401.db2.gz BMETVKRKMLCBLP-VIFPVBQESA-N 0 0 214.761 4.544 20 0 BJADRN CCc1ccc(N[C@H](C)c2csc(C)c2)cc1 ZINC000394459120 385206877 /nfs/dbraw/zinc/20/68/77/385206877.db2.gz TVHCRWYUWXOEQH-GFCCVEGCSA-N 0 0 245.391 4.792 20 0 BJADRN CCc1ccc(N[C@@H](C)c2csc(C)c2)cc1 ZINC000394459171 262732527 /nfs/dbraw/zinc/73/25/27/262732527.db2.gz TVHCRWYUWXOEQH-LBPRGKRZSA-N 0 0 245.391 4.792 20 0 BJADRN Cc1cc([C@@H](C)Nc2cccc(C)c2C)cs1 ZINC000394467599 323034555 /nfs/dbraw/zinc/03/45/55/323034555.db2.gz CPOUACDMUVBRBV-CYBMUJFWSA-N 0 0 245.391 4.846 20 0 BJADRN Cc1cc([C@H](C)Nc2cccc(C)c2C)cs1 ZINC000394467618 323034546 /nfs/dbraw/zinc/03/45/46/323034546.db2.gz CPOUACDMUVBRBV-ZDUSSCGKSA-N 0 0 245.391 4.846 20 0 BJADRN Cc1cc([C@@H](C)Nc2ccc(F)cc2C)cs1 ZINC000394494778 385346065 /nfs/dbraw/zinc/34/60/65/385346065.db2.gz DPWWNKJQHASPDG-LLVKDONJSA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@H](C)Nc2ccc(F)cc2C)cs1 ZINC000394494779 385346090 /nfs/dbraw/zinc/34/60/90/385346090.db2.gz DPWWNKJQHASPDG-NSHDSACASA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@@H](C)Nc2cc(C)cc(F)c2)cs1 ZINC000394545386 259365995 /nfs/dbraw/zinc/36/59/95/259365995.db2.gz DYLZNYJCALCLGW-LLVKDONJSA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@H](C)Nc2cc(C)cc(F)c2)cs1 ZINC000394545387 259360158 /nfs/dbraw/zinc/36/01/58/259360158.db2.gz DYLZNYJCALCLGW-NSHDSACASA-N 0 0 249.354 4.677 20 0 BJADRN Cc1cc([C@@H](C)Nc2ccc(C)cc2)cs1 ZINC000394550444 259366517 /nfs/dbraw/zinc/36/65/17/259366517.db2.gz HPRTYUPWMXSFJB-GFCCVEGCSA-N 0 0 231.364 4.538 20 0 BJADRN Cc1cc([C@H](C)Nc2ccc(C)cc2)cs1 ZINC000394550455 259366675 /nfs/dbraw/zinc/36/66/75/259366675.db2.gz HPRTYUPWMXSFJB-LBPRGKRZSA-N 0 0 231.364 4.538 20 0 BJADRN C[C@H](Nc1cccc(C(F)F)c1)C1CCCC1 ZINC000395443240 357441059 /nfs/dbraw/zinc/44/10/59/357441059.db2.gz VRCFZLPWXKCXOE-JTQLQIEISA-N 0 0 239.309 4.615 20 0 BJADRN C[C@@H](Nc1cccc(C(F)F)c1)C1CCCC1 ZINC000395443242 357441167 /nfs/dbraw/zinc/44/11/67/357441167.db2.gz VRCFZLPWXKCXOE-SNVBAGLBSA-N 0 0 239.309 4.615 20 0 BJADRN Cc1cc([C@H](C)Nc2cscc2C)cs1 ZINC000395713056 356384718 /nfs/dbraw/zinc/38/47/18/356384718.db2.gz QXXOAQIFZGUTRQ-JTQLQIEISA-N 0 0 237.393 4.600 20 0 BJADRN Cc1cc([C@@H](C)Nc2cscc2C)cs1 ZINC000395713061 356384880 /nfs/dbraw/zinc/38/48/80/356384880.db2.gz QXXOAQIFZGUTRQ-SNVBAGLBSA-N 0 0 237.393 4.600 20 0 BJADRN CC[C@@H](Nc1cscc1C)c1cccc(F)c1 ZINC000395719875 387345535 /nfs/dbraw/zinc/34/55/35/387345535.db2.gz NCDSBQPGFICLNP-CYBMUJFWSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@H](Nc1cscc1C)c1cccc(F)c1 ZINC000395719878 387345784 /nfs/dbraw/zinc/34/57/84/387345784.db2.gz NCDSBQPGFICLNP-ZDUSSCGKSA-N 0 0 249.354 4.759 20 0 BJADRN CC[C@@H](Nc1cscc1C)c1ccsc1 ZINC000395726483 387352892 /nfs/dbraw/zinc/35/28/92/387352892.db2.gz XLJRBCDSCAVMIR-LLVKDONJSA-N 0 0 237.393 4.681 20 0 BJADRN CC[C@H](Nc1cscc1C)c1ccsc1 ZINC000395726484 387353373 /nfs/dbraw/zinc/35/33/73/387353373.db2.gz XLJRBCDSCAVMIR-NSHDSACASA-N 0 0 237.393 4.681 20 0 BJADRN Cc1c2ccsc2nc2c1[C@@H](C(C)C)SC2 ZINC000427451564 191075901 /nfs/dbraw/zinc/07/59/01/191075901.db2.gz QGPWGKMHLPBQPG-GFCCVEGCSA-N 0 0 249.404 4.549 20 0 BJADRN Cc1c2ccsc2nc2c1[C@H](C(C)C)SC2 ZINC000427451569 191076234 /nfs/dbraw/zinc/07/62/34/191076234.db2.gz QGPWGKMHLPBQPG-LBPRGKRZSA-N 0 0 249.404 4.549 20 0 BJADRN Cc1c2ccsc2nc(-c2cccs2)c1C ZINC000427457184 191075889 /nfs/dbraw/zinc/07/58/89/191075889.db2.gz CZTJUBZZIVLZKZ-UHFFFAOYSA-N 0 0 245.372 4.642 20 0 BJADRN CC(C)c1nc(C2CCC(F)(F)CC2)cs1 ZINC000430831760 398232247 /nfs/dbraw/zinc/23/22/47/398232247.db2.gz DEYATUZGDPFJCA-UHFFFAOYSA-N 0 0 245.338 4.559 20 0 BJADRN FCCCCNc1cccc(-c2ccccc2)c1 ZINC000431072727 387675704 /nfs/dbraw/zinc/67/57/04/387675704.db2.gz GRTPYBJAPLWDGM-UHFFFAOYSA-N 0 0 243.325 4.515 20 0 BJADRN CCC(C)(C)CC[S@](=O)C(CC)(CC)CC ZINC000431202259 387688175 /nfs/dbraw/zinc/68/81/75/387688175.db2.gz HWYGPCMTKUMXFY-INIZCTEOSA-N 0 0 246.460 4.530 20 0 BJADRN CCC(C)(C)CC[S@@](=O)C(CC)(CC)CC ZINC000431202260 387688156 /nfs/dbraw/zinc/68/81/56/387688156.db2.gz HWYGPCMTKUMXFY-MRXNPFEDSA-N 0 0 246.460 4.530 20 0 BJADRN COc1cccc([C@@H](C)Sc2ccccc2)c1 ZINC000435200375 201254371 /nfs/dbraw/zinc/25/43/71/201254371.db2.gz ACTIVSMKZKGBJL-GFCCVEGCSA-N 0 0 244.359 4.549 20 0 BJADRN COc1cccc([C@H](C)Sc2ccccc2)c1 ZINC000435200427 201255889 /nfs/dbraw/zinc/25/58/89/201255889.db2.gz ACTIVSMKZKGBJL-LBPRGKRZSA-N 0 0 244.359 4.549 20 0 BJADRN CC(F)(F)c1cccc(NC2CCCCC2)c1 ZINC000437033225 206069030 /nfs/dbraw/zinc/06/90/30/206069030.db2.gz RCWQSZUEHWQLIK-UHFFFAOYSA-N 0 0 239.309 4.543 20 0 BJADRN CC(C)SCCc1ccc2ccccc2c1 ZINC000437265074 201349255 /nfs/dbraw/zinc/34/92/55/201349255.db2.gz BEPPPWAKRHVWJO-UHFFFAOYSA-N 0 0 230.376 4.524 20 0 BJADRN C[C@@H](SCC1CCC1)c1ccc(F)c(F)c1 ZINC000437277162 201348800 /nfs/dbraw/zinc/34/88/00/201348800.db2.gz PQODEDMHBFJIHL-SECBINFHSA-N 0 0 242.334 4.559 20 0 BJADRN C[C@H](SCC1CCC1)c1ccc(F)c(F)c1 ZINC000437277168 201349767 /nfs/dbraw/zinc/34/97/67/201349767.db2.gz PQODEDMHBFJIHL-VIFPVBQESA-N 0 0 242.334 4.559 20 0 BJADRN CCCCSCc1cc(C)nc2ccccc12 ZINC000437277583 201348725 /nfs/dbraw/zinc/34/87/25/201348725.db2.gz QUCISVNPPPASJR-UHFFFAOYSA-N 0 0 245.391 4.577 20 0 BJADRN CCC(C)(C)CCSCc1cnc(C)s1 ZINC000437284202 201349659 /nfs/dbraw/zinc/34/96/59/201349659.db2.gz APWAAHAVILWCQI-UHFFFAOYSA-N 0 0 243.441 4.511 20 0 BJADRN CCC(C)(C)CCSCc1csc(C)n1 ZINC000437284424 201348680 /nfs/dbraw/zinc/34/86/80/201348680.db2.gz KRXVCNHIMFQACY-UHFFFAOYSA-N 0 0 243.441 4.511 20 0 BJADRN Cc1ccsc1-c1nc(C2CCCC2)cs1 ZINC000437659931 201363740 /nfs/dbraw/zinc/36/37/40/201363740.db2.gz RDFFDNMKGKMNQG-UHFFFAOYSA-N 0 0 249.404 4.838 20 0 BJADRN Cc1nc(-c2ccc(C(C)C)cc2)c(C)s1 ZINC000437661777 201364314 /nfs/dbraw/zinc/36/43/14/201364314.db2.gz KENGBZIFRVQATH-UHFFFAOYSA-N 0 0 231.364 4.550 20 0 BJADRN c1csc(-c2nc(C3CCCC3)cs2)c1 ZINC000437668716 201363943 /nfs/dbraw/zinc/36/39/43/201363943.db2.gz BVWWWYFNJFCXCE-UHFFFAOYSA-N 0 0 235.377 4.529 20 0 BJADRN Fc1cccc(-c2nc(C3CCCC3)cs2)c1 ZINC000437673080 201366219 /nfs/dbraw/zinc/36/62/19/201366219.db2.gz KKKWCEADENWMFB-UHFFFAOYSA-N 0 0 247.338 4.607 20 0 BJADRN Fc1ccc(-c2nc(C3CCCC3)cs2)cc1 ZINC000437680150 201365516 /nfs/dbraw/zinc/36/55/16/201365516.db2.gz ZQVMNHSIBCMMAD-UHFFFAOYSA-N 0 0 247.338 4.607 20 0 BJADRN C/C(=C/c1nc(C2CCCCC2)no1)C(C)(C)C ZINC000438738803 201418128 /nfs/dbraw/zinc/41/81/28/201418128.db2.gz JOWKFKBBUCGQLU-KHPPLWFESA-N 0 0 248.370 4.567 20 0 BJADRN C/C(=C\c1nc(C2CCCCC2)no1)C(C)(C)C ZINC000438738806 201418339 /nfs/dbraw/zinc/41/83/39/201418339.db2.gz JOWKFKBBUCGQLU-ZHACJKMWSA-N 0 0 248.370 4.567 20 0 BJADRN CCS[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000438792888 387956028 /nfs/dbraw/zinc/95/60/28/387956028.db2.gz OGUUIUZDNPNVTN-LLVKDONJSA-N 0 0 246.375 4.663 20 0 BJADRN CCS[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000438792894 387956792 /nfs/dbraw/zinc/95/67/92/387956792.db2.gz OGUUIUZDNPNVTN-NSHDSACASA-N 0 0 246.375 4.663 20 0 BJADRN C[C@@H](SC[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000439025526 387976008 /nfs/dbraw/zinc/97/60/08/387976008.db2.gz SCVCPIBVVDUINE-NXEZZACHSA-N 0 0 248.313 4.679 20 0 BJADRN C[C@@H](CS[C@@H](C)c1ccccc1)C(F)(F)F ZINC000439025527 201431834 /nfs/dbraw/zinc/43/18/34/201431834.db2.gz SCVCPIBVVDUINE-UWVGGRQHSA-N 0 0 248.313 4.679 20 0 BJADRN C[C@@H](CS[C@H](C)c1ccccc1)C(F)(F)F ZINC000439025528 387976253 /nfs/dbraw/zinc/97/62/53/387976253.db2.gz SCVCPIBVVDUINE-VHSXEESVSA-N 0 0 248.313 4.679 20 0 BJADRN C[C@H](CS[C@@H](C)c1ccccc1)C(F)(F)F ZINC000439025530 387975720 /nfs/dbraw/zinc/97/57/20/387975720.db2.gz SCVCPIBVVDUINE-ZJUUUORDSA-N 0 0 248.313 4.679 20 0 BJADRN C[C@H](SCC(C)(C)C)c1nc2ccccc2o1 ZINC000440586792 388058543 /nfs/dbraw/zinc/05/85/43/388058543.db2.gz XVZSDEDMAWBYJR-JTQLQIEISA-N 0 0 249.379 4.668 20 0 BJADRN C[C@@H](SCC(C)(C)C)c1nc2ccccc2o1 ZINC000440586795 388058063 /nfs/dbraw/zinc/05/80/63/388058063.db2.gz XVZSDEDMAWBYJR-SNVBAGLBSA-N 0 0 249.379 4.668 20 0 BJADRN CC[C@@H](F)CSCc1cccc(C(F)F)c1 ZINC000442549566 387804938 /nfs/dbraw/zinc/80/49/38/387804938.db2.gz OKSZGFFBQDTREU-LLVKDONJSA-N 0 0 248.313 4.606 20 0 BJADRN CC[C@H](F)CSCc1cccc(C(F)F)c1 ZINC000442549584 387803845 /nfs/dbraw/zinc/80/38/45/387803845.db2.gz OKSZGFFBQDTREU-NSHDSACASA-N 0 0 248.313 4.606 20 0 BJADRN CC[C@@H](F)CSCc1ccc(C(F)F)cc1 ZINC000442549739 387805001 /nfs/dbraw/zinc/80/50/01/387805001.db2.gz HXRQCRJSRGBVDH-LLVKDONJSA-N 0 0 248.313 4.606 20 0 BJADRN CC[C@H](F)CSCc1ccc(C(F)F)cc1 ZINC000442549741 201573289 /nfs/dbraw/zinc/57/32/89/201573289.db2.gz HXRQCRJSRGBVDH-NSHDSACASA-N 0 0 248.313 4.606 20 0 BJADRN CCCCS[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000443179076 193015025 /nfs/dbraw/zinc/01/50/25/193015025.db2.gz GIAJXIROQOUAQD-JTQLQIEISA-N 0 0 241.400 4.566 20 0 BJADRN CCCCS[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000443179077 193015257 /nfs/dbraw/zinc/01/52/57/193015257.db2.gz GIAJXIROQOUAQD-SNVBAGLBSA-N 0 0 241.400 4.566 20 0 BJADRN CCC(CC)SCCCCC(F)(F)F ZINC000443512464 193023547 /nfs/dbraw/zinc/02/35/47/193023547.db2.gz UNHVXGHVLNAORT-UHFFFAOYSA-N 0 0 228.323 4.641 20 0 BJADRN FC(F)(F)CCCCSc1ccccc1 ZINC000443519813 193023307 /nfs/dbraw/zinc/02/33/07/193023307.db2.gz XLERQXLCYHMPIW-UHFFFAOYSA-N 0 0 234.286 4.511 20 0 BJADRN FC(F)(F)CCCCSc1cccs1 ZINC000443521930 193022925 /nfs/dbraw/zinc/02/29/25/193022925.db2.gz KVCUIIPFIIMCJB-UHFFFAOYSA-N 0 0 240.315 4.573 20 0 BJADRN CC(C)c1ccc([C@@H](C)Sc2ncco2)cc1 ZINC000446064788 387989046 /nfs/dbraw/zinc/98/90/46/387989046.db2.gz XFFUCTRCPJZCHJ-LLVKDONJSA-N 0 0 247.363 4.651 20 0 BJADRN CC(C)c1ccc([C@H](C)Sc2ncco2)cc1 ZINC000446064789 201667947 /nfs/dbraw/zinc/66/79/47/201667947.db2.gz XFFUCTRCPJZCHJ-NSHDSACASA-N 0 0 247.363 4.651 20 0 BJADRN C[C@H](Sc1ccncc1)c1ccc(Cl)cc1 ZINC000448101174 385143106 /nfs/dbraw/zinc/14/31/06/385143106.db2.gz MGEWIDOCPHXKBN-JTQLQIEISA-N 0 0 249.766 4.588 20 0 BJADRN C[C@@H](Sc1ccncc1)c1ccc(Cl)cc1 ZINC000448101180 385144881 /nfs/dbraw/zinc/14/48/81/385144881.db2.gz MGEWIDOCPHXKBN-SNVBAGLBSA-N 0 0 249.766 4.588 20 0 BJADRN CCC(CC)SCc1oc(C(C)C)nc1C ZINC000450836870 202283988 /nfs/dbraw/zinc/28/39/88/202283988.db2.gz ZOPHCHOTJQKVRL-UHFFFAOYSA-N 0 0 241.400 4.528 20 0 BJADRN c1cc(CNc2cccc(C3CCC3)c2)cs1 ZINC000462862432 224948676 /nfs/dbraw/zinc/94/86/76/224948676.db2.gz OBEUCLKJSDZSHY-UHFFFAOYSA-N 0 0 243.375 4.628 20 0 BJADRN c1csc(CNc2cccc(C3CCC3)c2)c1 ZINC000462873702 388273281 /nfs/dbraw/zinc/27/32/81/388273281.db2.gz NYFCPAAKVIYEMH-UHFFFAOYSA-N 0 0 243.375 4.628 20 0 BJADRN C[C@@H](Nc1cccc(C2CCC2)c1)c1ccco1 ZINC000462944186 224949201 /nfs/dbraw/zinc/94/92/01/224949201.db2.gz YFNUHYBHVOCOLV-GFCCVEGCSA-N 0 0 241.334 4.720 20 0 BJADRN C[C@H](Nc1cccc(C2CCC2)c1)c1ccco1 ZINC000462944187 388275189 /nfs/dbraw/zinc/27/51/89/388275189.db2.gz YFNUHYBHVOCOLV-LBPRGKRZSA-N 0 0 241.334 4.720 20 0 BJADRN Cc1cccc([C@@H](C)SCc2ccco2)c1 ZINC000463026689 534759141 /nfs/dbraw/zinc/75/91/41/534759141.db2.gz BJYHKUDASFXZNY-GFCCVEGCSA-N 0 0 232.348 4.582 20 0 BJADRN Cc1cccc([C@H](C)SCc2ccco2)c1 ZINC000463026690 224951548 /nfs/dbraw/zinc/95/15/48/224951548.db2.gz BJYHKUDASFXZNY-LBPRGKRZSA-N 0 0 232.348 4.582 20 0 BJADRN COc1ccccc1[C@@H](C)S[C@@H]1C=CCCC1 ZINC000463206184 388088800 /nfs/dbraw/zinc/08/88/00/388088800.db2.gz REKXEIOYUBVXIM-CHWSQXEVSA-N 0 0 248.391 4.598 20 0 BJADRN COc1ccccc1[C@@H](C)S[C@H]1C=CCCC1 ZINC000463206185 388089236 /nfs/dbraw/zinc/08/92/36/388089236.db2.gz REKXEIOYUBVXIM-OLZOCXBDSA-N 0 0 248.391 4.598 20 0 BJADRN COc1ccccc1[C@H](C)S[C@@H]1C=CCCC1 ZINC000463206186 388088481 /nfs/dbraw/zinc/08/84/81/388088481.db2.gz REKXEIOYUBVXIM-QWHCGFSZSA-N 0 0 248.391 4.598 20 0 BJADRN COc1ccccc1[C@H](C)S[C@H]1C=CCCC1 ZINC000463206187 388089040 /nfs/dbraw/zinc/08/90/40/388089040.db2.gz REKXEIOYUBVXIM-STQMWFEESA-N 0 0 248.391 4.598 20 0 BJADRN CC(C)[C@@H](C)SCc1cccc2cccnc21 ZINC000463217152 388089984 /nfs/dbraw/zinc/08/99/84/388089984.db2.gz BJEZMGXXLODBHF-GFCCVEGCSA-N 0 0 245.391 4.513 20 0 BJADRN CC(C)[C@H](C)SCc1cccc2cccnc21 ZINC000463217153 388089850 /nfs/dbraw/zinc/08/98/50/388089850.db2.gz BJEZMGXXLODBHF-LBPRGKRZSA-N 0 0 245.391 4.513 20 0 BJADRN CC(C)[C@@H](C)S[C@@H](C)c1ccccc1 ZINC000463219618 388090081 /nfs/dbraw/zinc/09/00/81/388090081.db2.gz PPFBQFMYMYWEKX-NEPJUHHUSA-N 0 0 208.370 4.525 20 0 BJADRN CC(C)[C@H](C)S[C@H](C)c1ccccc1 ZINC000463219619 528973346 /nfs/dbraw/zinc/97/33/46/528973346.db2.gz PPFBQFMYMYWEKX-NWDGAFQWSA-N 0 0 208.370 4.525 20 0 BJADRN CC(C)[C@H](C)S[C@@H](C)c1ccccc1 ZINC000463219620 388089610 /nfs/dbraw/zinc/08/96/10/388089610.db2.gz PPFBQFMYMYWEKX-RYUDHWBXSA-N 0 0 208.370 4.525 20 0 BJADRN CC(C)[C@@H](C)S[C@H](C)c1ccccc1 ZINC000463219621 388090160 /nfs/dbraw/zinc/09/01/60/388090160.db2.gz PPFBQFMYMYWEKX-VXGBXAGGSA-N 0 0 208.370 4.525 20 0 BJADRN CC(C)c1nc(CS[C@@H](C)C(C)C)cs1 ZINC000463221527 388089834 /nfs/dbraw/zinc/08/98/34/388089834.db2.gz SSPXEHZKMPBABF-JTQLQIEISA-N 0 0 243.441 4.544 20 0 BJADRN CC(C)c1nc(CS[C@H](C)C(C)C)cs1 ZINC000463221530 528285348 /nfs/dbraw/zinc/28/53/48/528285348.db2.gz SSPXEHZKMPBABF-SNVBAGLBSA-N 0 0 243.441 4.544 20 0 BJADRN CC(C)[C@@H](C)SCCOC1CCCCCC1 ZINC000463229156 388090317 /nfs/dbraw/zinc/09/03/17/388090317.db2.gz JAKBERFVFYMCNK-CYBMUJFWSA-N 0 0 244.444 4.504 20 0 BJADRN CC(C)[C@H](C)SCCOC1CCCCCC1 ZINC000463229186 388090104 /nfs/dbraw/zinc/09/01/04/388090104.db2.gz JAKBERFVFYMCNK-ZDUSSCGKSA-N 0 0 244.444 4.504 20 0 BJADRN CC(C)[C@@H](C)SCc1ccc2ccccc2n1 ZINC000463229782 388090076 /nfs/dbraw/zinc/09/00/76/388090076.db2.gz PCKPEJVGEMSODA-GFCCVEGCSA-N 0 0 245.391 4.513 20 0 BJADRN CC(C)[C@H](C)SCc1ccc2ccccc2n1 ZINC000463229784 388089853 /nfs/dbraw/zinc/08/98/53/388089853.db2.gz PCKPEJVGEMSODA-LBPRGKRZSA-N 0 0 245.391 4.513 20 0 BJADRN Cc1cccc([C@@H](C)Sc2ccc(O)cc2)c1 ZINC000463250669 388090070 /nfs/dbraw/zinc/09/00/70/388090070.db2.gz NKDZQOOJKNYMEW-GFCCVEGCSA-N 0 0 244.359 4.554 20 0 BJADRN Cc1cccc([C@H](C)Sc2ccc(O)cc2)c1 ZINC000463250670 388089711 /nfs/dbraw/zinc/08/97/11/388089711.db2.gz NKDZQOOJKNYMEW-LBPRGKRZSA-N 0 0 244.359 4.554 20 0 BJADRN Cc1cccc([C@@H](C)Sc2cccs2)c1 ZINC000463258510 388090092 /nfs/dbraw/zinc/09/00/92/388090092.db2.gz CATFFFQUSOMBQZ-LLVKDONJSA-N 0 0 234.389 4.910 20 0 BJADRN Cc1cccc([C@H](C)Sc2cccs2)c1 ZINC000463258512 388090052 /nfs/dbraw/zinc/09/00/52/388090052.db2.gz CATFFFQUSOMBQZ-NSHDSACASA-N 0 0 234.389 4.910 20 0 BJADRN Cc1ccc(S[C@H](C)c2cccc(C)c2)nc1 ZINC000463260381 388089951 /nfs/dbraw/zinc/08/99/51/388089951.db2.gz FWJYEEIXGHUSEE-CYBMUJFWSA-N 0 0 243.375 4.552 20 0 BJADRN Cc1ccc(S[C@@H](C)c2cccc(C)c2)nc1 ZINC000463260382 388089955 /nfs/dbraw/zinc/08/99/55/388089955.db2.gz FWJYEEIXGHUSEE-ZDUSSCGKSA-N 0 0 243.375 4.552 20 0 BJADRN CCCC(CCC)[S@@](=O)CCC(C)(C)CC ZINC000463693480 528002164 /nfs/dbraw/zinc/00/21/64/528002164.db2.gz PLLGKGJSGZIZFC-INIZCTEOSA-N 0 0 246.460 4.530 20 0 BJADRN CCCC(CCC)[S@](=O)CCC(C)(C)CC ZINC000463693481 528003814 /nfs/dbraw/zinc/00/38/14/528003814.db2.gz PLLGKGJSGZIZFC-MRXNPFEDSA-N 0 0 246.460 4.530 20 0 BJADRN CCC(C)(C)CC(=O)Nc1ccccc1C(C)C ZINC000465039282 388109415 /nfs/dbraw/zinc/10/94/15/388109415.db2.gz SJKNXEKJMLBBND-UHFFFAOYSA-N 0 0 247.382 4.575 20 0 BJADRN CCC(C)(C)CC(=O)Nc1cccc(C(C)C)c1 ZINC000465059486 388109204 /nfs/dbraw/zinc/10/92/04/388109204.db2.gz OCLQMSHKSLBGNH-UHFFFAOYSA-N 0 0 247.382 4.575 20 0 BJADRN CCC(C)(C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000465060632 388109130 /nfs/dbraw/zinc/10/91/30/388109130.db2.gz SIKBAKHBAYYOSU-UHFFFAOYSA-N 0 0 247.382 4.575 20 0 BJADRN CC/C=C\CCSCCCCC(F)(F)F ZINC000467294723 528791197 /nfs/dbraw/zinc/79/11/97/528791197.db2.gz CNWXOHUXSUWWFN-ARJAWSKDSA-N 0 0 240.334 4.809 20 0 BJADRN CC/C=C/CCSCCCCC(F)(F)F ZINC000467294724 528773672 /nfs/dbraw/zinc/77/36/72/528773672.db2.gz CNWXOHUXSUWWFN-ONEGZZNKSA-N 0 0 240.334 4.809 20 0 BJADRN CCC(CC)CC(=O)Nc1ccccc1C(C)C ZINC000469121329 528736241 /nfs/dbraw/zinc/73/62/41/528736241.db2.gz GUYNOFZSIAICLL-UHFFFAOYSA-N 0 0 247.382 4.575 20 0 BJADRN C[C@@H](CCC1CC1)Nc1cccc(C(F)F)c1 ZINC000469781179 225046636 /nfs/dbraw/zinc/04/66/36/225046636.db2.gz SGIBFVDYNGVOEC-JTQLQIEISA-N 0 0 239.309 4.615 20 0 BJADRN C[C@H](CCC1CC1)Nc1cccc(C(F)F)c1 ZINC000469781180 225047048 /nfs/dbraw/zinc/04/70/48/225047048.db2.gz SGIBFVDYNGVOEC-SNVBAGLBSA-N 0 0 239.309 4.615 20 0 BJADRN CCCS[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000471432968 528831079 /nfs/dbraw/zinc/83/10/79/528831079.db2.gz OAZDDNOLBLMUQM-LLVKDONJSA-N 0 0 247.363 4.546 20 0 BJADRN CCCS[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000471432969 528831067 /nfs/dbraw/zinc/83/10/67/528831067.db2.gz OAZDDNOLBLMUQM-NSHDSACASA-N 0 0 247.363 4.546 20 0 BJADRN CC(C)(C)OCCCCSC1CCCCC1 ZINC000473669954 526551362 /nfs/dbraw/zinc/55/13/62/526551362.db2.gz HVRIRZQJCREYKM-UHFFFAOYSA-N 0 0 244.444 4.648 20 0 BJADRN CCCCCSCCCCOC(C)(C)C ZINC000473785655 528251709 /nfs/dbraw/zinc/25/17/09/528251709.db2.gz YJRPNWXQPPSNFU-UHFFFAOYSA-N 0 0 232.433 4.505 20 0 BJADRN CC(C)(C)OCCCCSCC1CCCC1 ZINC000473788073 526550703 /nfs/dbraw/zinc/55/07/03/526550703.db2.gz UWDCYGNRUFUWFI-UHFFFAOYSA-N 0 0 244.444 4.505 20 0 BJADRN CCC(CC)SCCCCOC(C)(C)C ZINC000473793274 528807044 /nfs/dbraw/zinc/80/70/44/528807044.db2.gz TTYWVLOCSVCCBE-UHFFFAOYSA-N 0 0 232.433 4.504 20 0 BJADRN CC/C=C\CCSCCCCOC(C)(C)C ZINC000473796497 528791140 /nfs/dbraw/zinc/79/11/40/528791140.db2.gz YDFZPHMHKDLQBM-SREVYHEPSA-N 0 0 244.444 4.671 20 0 BJADRN CC/C=C/CCSCCCCOC(C)(C)C ZINC000473796498 528773190 /nfs/dbraw/zinc/77/31/90/528773190.db2.gz YDFZPHMHKDLQBM-VOTSOKGWSA-N 0 0 244.444 4.671 20 0 BJADRN Cc1cccc([C@@H](C)Sc2ccccc2O)c1 ZINC000476485970 534759369 /nfs/dbraw/zinc/75/93/69/534759369.db2.gz UBRBYMPBHAHAEX-GFCCVEGCSA-N 0 0 244.359 4.554 20 0 BJADRN Cc1cccc([C@H](C)Sc2ccccc2O)c1 ZINC000476485987 534761594 /nfs/dbraw/zinc/76/15/94/534761594.db2.gz UBRBYMPBHAHAEX-LBPRGKRZSA-N 0 0 244.359 4.554 20 0 BJADRN CC[C@H](Sc1ccccc1O)c1ccccc1 ZINC000476500546 529178678 /nfs/dbraw/zinc/17/86/78/529178678.db2.gz UWUPLJSVXCQAEH-AWEZNQCLSA-N 0 0 244.359 4.636 20 0 BJADRN CC[C@@H](Sc1ccccc1O)c1ccccc1 ZINC000476500547 529254729 /nfs/dbraw/zinc/25/47/29/529254729.db2.gz UWUPLJSVXCQAEH-CQSZACIVSA-N 0 0 244.359 4.636 20 0 BJADRN CCC[C@@H](CC)SCc1ncc(Cl)s1 ZINC000477045159 386244571 /nfs/dbraw/zinc/24/45/71/386244571.db2.gz DOBMSIMSZLJUHV-MRVPVSSYSA-N 0 0 249.832 4.608 20 0 BJADRN CCC[C@H](CC)SCc1ncc(Cl)s1 ZINC000477045160 386246405 /nfs/dbraw/zinc/24/64/05/386246405.db2.gz DOBMSIMSZLJUHV-QMMMGPOBSA-N 0 0 249.832 4.608 20 0 BJADRN c1cc(-c2nc(C3CCCC3)cs2)cs1 ZINC000477256529 534468188 /nfs/dbraw/zinc/46/81/88/534468188.db2.gz YQMZMBBFEFTVBF-UHFFFAOYSA-N 0 0 235.377 4.529 20 0 BJADRN C/C(=C\c1ccccc1)CNc1ccc(C)cc1 ZINC000477325563 527534762 /nfs/dbraw/zinc/53/47/62/527534762.db2.gz UTTCDYWXVDNHQQ-NTCAYCPXSA-N 0 0 237.346 4.510 20 0 BJADRN C/C(=C/c1ccccc1)CNc1ccc(C)cc1 ZINC000477325942 527509342 /nfs/dbraw/zinc/50/93/42/527509342.db2.gz UTTCDYWXVDNHQQ-QINSGFPZSA-N 0 0 237.346 4.510 20 0 BJADRN Cc1ccccc1[C@H](C)SCCC(F)(F)F ZINC000478747278 225171314 /nfs/dbraw/zinc/17/13/14/225171314.db2.gz NVFSBUVBXNINHZ-JTQLQIEISA-N 0 0 248.313 4.742 20 0 BJADRN Cc1ccccc1[C@@H](C)SCCC(F)(F)F ZINC000478747306 225171648 /nfs/dbraw/zinc/17/16/48/225171648.db2.gz NVFSBUVBXNINHZ-SNVBAGLBSA-N 0 0 248.313 4.742 20 0 BJADRN Cc1cccc([C@H](C)SCCC(F)(F)F)c1 ZINC000478748372 225171600 /nfs/dbraw/zinc/17/16/00/225171600.db2.gz RGKLHPHDZHQHKH-JTQLQIEISA-N 0 0 248.313 4.742 20 0 BJADRN Cc1cccc([C@@H](C)SCCC(F)(F)F)c1 ZINC000478748374 534759198 /nfs/dbraw/zinc/75/91/98/534759198.db2.gz RGKLHPHDZHQHKH-SNVBAGLBSA-N 0 0 248.313 4.742 20 0 BJADRN Cc1occc1SCc1ccc(Cl)s1 ZINC000479091326 534587284 /nfs/dbraw/zinc/58/72/84/534587284.db2.gz RCMHTQTUTUSIEZ-UHFFFAOYSA-N 0 0 244.768 4.595 20 0 BJADRN Cc1occc1S[C@@H](C)c1ccccc1F ZINC000479106341 534587448 /nfs/dbraw/zinc/58/74/48/534587448.db2.gz ILZAURNCXDRRRT-JTQLQIEISA-N 0 0 236.311 4.580 20 0 BJADRN Cc1occc1S[C@H](C)c1ccccc1F ZINC000479106342 534586424 /nfs/dbraw/zinc/58/64/24/534586424.db2.gz ILZAURNCXDRRRT-SNVBAGLBSA-N 0 0 236.311 4.580 20 0 BJADRN Cc1cc(NCc2cccs2)ccc1C1CC1 ZINC000479409119 225182646 /nfs/dbraw/zinc/18/26/46/225182646.db2.gz MBNIMEAHZBSBBC-UHFFFAOYSA-N 0 0 243.375 4.546 20 0 BJADRN Cc1cc(NCc2ccsc2)ccc1C1CC1 ZINC000479412677 225183169 /nfs/dbraw/zinc/18/31/69/225183169.db2.gz JNGWNBKOXLOEJZ-UHFFFAOYSA-N 0 0 243.375 4.546 20 0 BJADRN CNc1ccc([C@@H](C)Sc2ccccc2)cc1 ZINC000480040151 533064943 /nfs/dbraw/zinc/06/49/43/533064943.db2.gz WEGMBTFJFKHEBM-GFCCVEGCSA-N 0 0 243.375 4.582 20 0 BJADRN CNc1ccc([C@H](C)Sc2ccccc2)cc1 ZINC000480040154 533065285 /nfs/dbraw/zinc/06/52/85/533065285.db2.gz WEGMBTFJFKHEBM-LBPRGKRZSA-N 0 0 243.375 4.582 20 0 BJADRN C(CSC1CCCC1)CSC1CCCC1 ZINC000480268885 527487512 /nfs/dbraw/zinc/48/75/12/527487512.db2.gz UYKRSTYGXGZFLB-UHFFFAOYSA-N 0 0 244.469 4.728 20 0 BJADRN CC(C)c1ccc(SCCC(F)(F)F)cc1 ZINC000485079217 528128114 /nfs/dbraw/zinc/12/81/14/528128114.db2.gz NWRHDSZNQLOUBK-UHFFFAOYSA-N 0 0 248.313 4.855 20 0 BJADRN CC(C)(SCCC(F)(F)F)c1ccccc1 ZINC000485491356 527376500 /nfs/dbraw/zinc/37/65/00/527376500.db2.gz OVURTMVJGGZVIF-UHFFFAOYSA-N 0 0 248.313 4.607 20 0 BJADRN c1cc(CNc2ccc(C3CCC3)cc2)cs1 ZINC000487163192 225289145 /nfs/dbraw/zinc/28/91/45/225289145.db2.gz WDUIFCXKMHYYJK-UHFFFAOYSA-N 0 0 243.375 4.628 20 0 BJADRN c1csc(CNc2ccc(C3CCC3)cc2)c1 ZINC000487179926 534522578 /nfs/dbraw/zinc/52/25/78/534522578.db2.gz JQUPZFDNDCNCRT-UHFFFAOYSA-N 0 0 243.375 4.628 20 0 BJADRN Cc1ccccc1[C@@H](C)Sc1ccc(O)cc1 ZINC000488695329 225424837 /nfs/dbraw/zinc/42/48/37/225424837.db2.gz RFYPSRYLURVBOR-GFCCVEGCSA-N 0 0 244.359 4.554 20 0 BJADRN Cc1ccccc1[C@H](C)Sc1ccc(O)cc1 ZINC000488695330 388191775 /nfs/dbraw/zinc/19/17/75/388191775.db2.gz RFYPSRYLURVBOR-LBPRGKRZSA-N 0 0 244.359 4.554 20 0 BJADRN Cc1ccccc1[C@@H](C)Sc1ccccc1O ZINC000488812575 388196216 /nfs/dbraw/zinc/19/62/16/388196216.db2.gz FOGDALFIGQAAIX-GFCCVEGCSA-N 0 0 244.359 4.554 20 0 BJADRN Cc1ccccc1[C@H](C)Sc1ccccc1O ZINC000488812576 388195745 /nfs/dbraw/zinc/19/57/45/388195745.db2.gz FOGDALFIGQAAIX-LBPRGKRZSA-N 0 0 244.359 4.554 20 0 BJADRN C[C@@H](Nc1ccc(C2CCC2)cc1)c1ccco1 ZINC000494475579 533552825 /nfs/dbraw/zinc/55/28/25/533552825.db2.gz MQKRGEQMAUGVHW-GFCCVEGCSA-N 0 0 241.334 4.720 20 0 BJADRN C[C@H](Nc1ccc(C2CCC2)cc1)c1ccco1 ZINC000494475599 323088631 /nfs/dbraw/zinc/08/86/31/323088631.db2.gz MQKRGEQMAUGVHW-LBPRGKRZSA-N 0 0 241.334 4.720 20 0 BJADRN C[C@H](Nc1csc2ccccc12)c1ccco1 ZINC000495398117 534029271 /nfs/dbraw/zinc/02/92/71/534029271.db2.gz YYVJOOJECCFFJG-JTQLQIEISA-N 0 0 243.331 4.667 20 0 BJADRN C[C@@H](Nc1csc2ccccc12)c1ccco1 ZINC000495398118 226281272 /nfs/dbraw/zinc/28/12/72/226281272.db2.gz YYVJOOJECCFFJG-SNVBAGLBSA-N 0 0 243.331 4.667 20 0 BJADRN C[C@@H](SC1CCCC1)c1ccc(F)c(F)c1 ZINC000497662776 385269152 /nfs/dbraw/zinc/26/91/52/385269152.db2.gz 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/nfs/dbraw/zinc/44/16/55/384441655.db2.gz CBVVCYCGWJIHSC-LBPRGKRZSA-N 0 0 244.359 4.549 20 0 BJADRN c1csc(S[C@@H]2CCCc3ccccc32)c1 ZINC000521906628 388641382 /nfs/dbraw/zinc/64/13/82/388641382.db2.gz REQZONMUCUZPCS-CYBMUJFWSA-N 0 0 246.400 4.918 20 0 BJADRN c1csc(S[C@H]2CCCc3ccccc32)c1 ZINC000521906632 388641917 /nfs/dbraw/zinc/64/19/17/388641917.db2.gz REQZONMUCUZPCS-ZDUSSCGKSA-N 0 0 246.400 4.918 20 0 BJADRN C[C@@H](Sc1cccs1)c1ccc(F)cc1 ZINC000522684153 259374850 /nfs/dbraw/zinc/37/48/50/259374850.db2.gz QQDCREZJNRCBPF-SECBINFHSA-N 0 0 238.352 4.741 20 0 BJADRN C[C@H](Sc1cccs1)c1ccc(F)cc1 ZINC000522684154 259374808 /nfs/dbraw/zinc/37/48/08/259374808.db2.gz QQDCREZJNRCBPF-VIFPVBQESA-N 0 0 238.352 4.741 20 0 BJADRN C[C@H](CSc1cccs1)c1ccccc1 ZINC000522685032 259374905 /nfs/dbraw/zinc/37/49/05/259374905.db2.gz KHJXVWCJUNMYGJ-LLVKDONJSA-N 0 0 234.389 4.644 20 0 BJADRN C[C@@H](CSc1cccs1)c1ccccc1 ZINC000522685033 259374843 /nfs/dbraw/zinc/37/48/43/259374843.db2.gz KHJXVWCJUNMYGJ-NSHDSACASA-N 0 0 234.389 4.644 20 0 BJADRN C[C@@H](Sc1cccs1)c1ccccc1F ZINC000522686014 259374812 /nfs/dbraw/zinc/37/48/12/259374812.db2.gz IYICBXFGHCWVTH-SECBINFHSA-N 0 0 238.352 4.741 20 0 BJADRN C[C@H](Sc1cccs1)c1ccccc1F ZINC000522686015 259374918 /nfs/dbraw/zinc/37/49/18/259374918.db2.gz IYICBXFGHCWVTH-VIFPVBQESA-N 0 0 238.352 4.741 20 0 BJADRN CCc1ccc(CSc2cccs2)cc1 ZINC000522686970 259374868 /nfs/dbraw/zinc/37/48/68/259374868.db2.gz UDFVOMIPPJNBTM-UHFFFAOYSA-N 0 0 234.389 4.603 20 0 BJADRN CCCCCSCc1csc(CCC)n1 ZINC000522757328 323091513 /nfs/dbraw/zinc/09/15/13/323091513.db2.gz ZTBWMKFXSHKHNQ-UHFFFAOYSA-N 0 0 243.441 4.519 20 0 BJADRN CCCCCSCc1ccc2ccccc2n1 ZINC000522967693 324204346 /nfs/dbraw/zinc/20/43/46/324204346.db2.gz GBKRNBKMBJHPAO-UHFFFAOYSA-N 0 0 245.391 4.658 20 0 BJADRN Cc1cccc(C)c1CSc1cccs1 ZINC000523111021 388800515 /nfs/dbraw/zinc/80/05/15/388800515.db2.gz SSUZXGILHCSGFL-UHFFFAOYSA-N 0 0 234.389 4.657 20 0 BJADRN CC(C)c1ccc(NC(=O)CCC(C)(C)C)cc1 ZINC000523125442 388801263 /nfs/dbraw/zinc/80/12/63/388801263.db2.gz XQJDEBGAYVGPMR-UHFFFAOYSA-N 0 0 247.382 4.575 20 0 BJADRN CC[C@@H](SC(C)C)c1ccc(F)cc1F ZINC000523389118 259651767 /nfs/dbraw/zinc/65/17/67/259651767.db2.gz DYDUNQBLMOHKER-GFCCVEGCSA-N 0 0 230.323 4.558 20 0 BJADRN CC[C@H](SC(C)C)c1ccc(F)cc1F ZINC000523389119 388836829 /nfs/dbraw/zinc/83/68/29/388836829.db2.gz DYDUNQBLMOHKER-LBPRGKRZSA-N 0 0 230.323 4.558 20 0 BJADRN Cc1ccc(S[C@H](C)c2cccnc2)cc1C ZINC000523984664 388864340 /nfs/dbraw/zinc/86/43/40/388864340.db2.gz VQJKLYWLYSUCLE-CYBMUJFWSA-N 0 0 243.375 4.552 20 0 BJADRN Cc1ccc(S[C@@H](C)c2cccnc2)cc1C ZINC000523984665 388864915 /nfs/dbraw/zinc/86/49/15/388864915.db2.gz VQJKLYWLYSUCLE-ZDUSSCGKSA-N 0 0 243.375 4.552 20 0 BJADRN C[C@H](Sc1cccc(Cl)c1)c1cccnc1 ZINC000524115360 388346856 /nfs/dbraw/zinc/34/68/56/388346856.db2.gz NXQZRAKAJJCGNS-JTQLQIEISA-N 0 0 249.766 4.588 20 0 BJADRN C[C@@H](Sc1cccc(Cl)c1)c1cccnc1 ZINC000524115361 388347539 /nfs/dbraw/zinc/34/75/39/388347539.db2.gz NXQZRAKAJJCGNS-SNVBAGLBSA-N 0 0 249.766 4.588 20 0 BJADRN CC(C)CCSCc1ccc2ccccc2n1 ZINC000524243747 259666523 /nfs/dbraw/zinc/66/65/23/259666523.db2.gz LAEVTBBUQMVGDR-UHFFFAOYSA-N 0 0 245.391 4.514 20 0 BJADRN CC[C@@H](SCCC(F)(F)F)c1ccccc1 ZINC000524887169 388411783 /nfs/dbraw/zinc/41/17/83/388411783.db2.gz IMPBULJLYDEPKP-LLVKDONJSA-N 0 0 248.313 4.823 20 0 BJADRN CC[C@H](SCCC(F)(F)F)c1ccccc1 ZINC000524887170 259692805 /nfs/dbraw/zinc/69/28/05/259692805.db2.gz IMPBULJLYDEPKP-NSHDSACASA-N 0 0 248.313 4.823 20 0 BJADRN CC(C)c1ccccc1NC(=O)CCC(C)(C)C ZINC000531374632 323088199 /nfs/dbraw/zinc/08/81/99/323088199.db2.gz QPLJFPCULUMXKQ-UHFFFAOYSA-N 0 0 247.382 4.575 20 0 BJADRN CCC(C)(C)OCc1cccc(NC(C)C)c1C ZINC000531522527 323109200 /nfs/dbraw/zinc/10/92/00/323109200.db2.gz PRLCUFKIVAVTBO-UHFFFAOYSA-N 0 0 249.398 4.521 20 0 BJADRN CC[C@@H](SCCCF)c1ccc(F)cc1F ZINC000532201717 323208887 /nfs/dbraw/zinc/20/88/87/323208887.db2.gz BPFWGOWUSOAIPX-GFCCVEGCSA-N 0 0 248.313 4.509 20 0 BJADRN CC[C@H](SCCCF)c1ccc(F)cc1F ZINC000532201722 323208803 /nfs/dbraw/zinc/20/88/03/323208803.db2.gz BPFWGOWUSOAIPX-LBPRGKRZSA-N 0 0 248.313 4.509 20 0 BJADRN CC(C)c1ccc(SCc2nccs2)cc1 ZINC000532619545 323278807 /nfs/dbraw/zinc/27/88/07/323278807.db2.gz QYLLGGZRHVBYMG-UHFFFAOYSA-N 0 0 249.404 4.559 20 0 BJADRN CCC(C)(C)CCS[C@H](C)c1ncc(C)o1 ZINC000536130849 323195992 /nfs/dbraw/zinc/19/59/92/323195992.db2.gz RFXZGVZDBXNQOS-LLVKDONJSA-N 0 0 241.400 4.604 20 0 BJADRN CCC(C)(C)CCS[C@@H](C)c1ncc(C)o1 ZINC000536130850 323196164 /nfs/dbraw/zinc/19/61/64/323196164.db2.gz RFXZGVZDBXNQOS-NSHDSACASA-N 0 0 241.400 4.604 20 0 BJADRN CCCC(CCC)S[C@H](C)c1ncc(C)o1 ZINC000536558727 323197409 /nfs/dbraw/zinc/19/74/09/323197409.db2.gz OGEGACCQHRCMTA-LLVKDONJSA-N 0 0 241.400 4.746 20 0 BJADRN CCCC(CCC)S[C@@H](C)c1ncc(C)o1 ZINC000536558728 323197379 /nfs/dbraw/zinc/19/73/79/323197379.db2.gz OGEGACCQHRCMTA-NSHDSACASA-N 0 0 241.400 4.746 20 0 BJADRN FC(F)(F)CCCCSCC1CCCC1 ZINC000538418888 388689850 /nfs/dbraw/zinc/68/98/50/388689850.db2.gz XPOASNFMCXNJFQ-UHFFFAOYSA-N 0 0 240.334 4.642 20 0 BJADRN CCCC(CCC)[S@@](=O)CCCC(C)(C)C ZINC000538501652 324705240 /nfs/dbraw/zinc/70/52/40/324705240.db2.gz YHRNEGFFJKZFKO-INIZCTEOSA-N 0 0 246.460 4.530 20 0 BJADRN CCCC(CCC)[S@](=O)CCCC(C)(C)C ZINC000538501653 324704620 /nfs/dbraw/zinc/70/46/20/324704620.db2.gz YHRNEGFFJKZFKO-MRXNPFEDSA-N 0 0 246.460 4.530 20 0 BJADRN CC[C@@H](C)CS[C@H](C)c1nc2ccccc2o1 ZINC000538700792 323036707 /nfs/dbraw/zinc/03/67/07/323036707.db2.gz ASWAKRNWZCSHHE-GHMZBOCLSA-N 0 0 249.379 4.668 20 0 BJADRN CC[C@@H](C)CS[C@@H](C)c1nc2ccccc2o1 ZINC000538700818 323036679 /nfs/dbraw/zinc/03/66/79/323036679.db2.gz ASWAKRNWZCSHHE-MNOVXSKESA-N 0 0 249.379 4.668 20 0 BJADRN CC[C@H](C)CS[C@@H](C)c1nc2ccccc2o1 ZINC000538700827 323036754 /nfs/dbraw/zinc/03/67/54/323036754.db2.gz ASWAKRNWZCSHHE-QWRGUYRKSA-N 0 0 249.379 4.668 20 0 BJADRN CC[C@H](C)CS[C@H](C)c1nc2ccccc2o1 ZINC000538700831 323036689 /nfs/dbraw/zinc/03/66/89/323036689.db2.gz ASWAKRNWZCSHHE-WDEREUQCSA-N 0 0 249.379 4.668 20 0 BJADRN CCC(CC)(CC)[S@@](=O)CCCC(C)(C)C ZINC000539596864 388767123 /nfs/dbraw/zinc/76/71/23/388767123.db2.gz PFHRJMUDWVGYJL-INIZCTEOSA-N 0 0 246.460 4.530 20 0 BJADRN CCC(CC)(CC)[S@](=O)CCCC(C)(C)C ZINC000539596865 388766565 /nfs/dbraw/zinc/76/65/65/388766565.db2.gz PFHRJMUDWVGYJL-MRXNPFEDSA-N 0 0 246.460 4.530 20 0 BJADRN CC(C)[C@@H](C)S[C@H](C)c1nc2ccccc2o1 ZINC000539758262 388774129 /nfs/dbraw/zinc/77/41/29/388774129.db2.gz PKBFXKQNNPFJHJ-GHMZBOCLSA-N 0 0 249.379 4.667 20 0 BJADRN CC(C)[C@@H](C)S[C@@H](C)c1nc2ccccc2o1 ZINC000539758263 324856879 /nfs/dbraw/zinc/85/68/79/324856879.db2.gz PKBFXKQNNPFJHJ-MNOVXSKESA-N 0 0 249.379 4.667 20 0 BJADRN CC(C)[C@H](C)S[C@@H](C)c1nc2ccccc2o1 ZINC000539758264 388773865 /nfs/dbraw/zinc/77/38/65/388773865.db2.gz PKBFXKQNNPFJHJ-QWRGUYRKSA-N 0 0 249.379 4.667 20 0 BJADRN CC(C)[C@H](C)S[C@H](C)c1nc2ccccc2o1 ZINC000539758265 388773377 /nfs/dbraw/zinc/77/33/77/388773377.db2.gz PKBFXKQNNPFJHJ-WDEREUQCSA-N 0 0 249.379 4.667 20 0 BJADRN CC(C)CCS[C@H](C)c1nc2ccccc2o1 ZINC000539767489 388773459 /nfs/dbraw/zinc/77/34/59/388773459.db2.gz ASFGFOFQSJJVJF-LLVKDONJSA-N 0 0 249.379 4.668 20 0 BJADRN CC(C)CCS[C@@H](C)c1nc2ccccc2o1 ZINC000539767490 388773732 /nfs/dbraw/zinc/77/37/32/388773732.db2.gz ASFGFOFQSJJVJF-NSHDSACASA-N 0 0 249.379 4.668 20 0 BJADRN Cc1cnc([C@H](C)S[C@H](C)c2ccccc2)o1 ZINC000539950038 324878689 /nfs/dbraw/zinc/87/86/89/324878689.db2.gz HOIMTWDCONSZPU-NEPJUHHUSA-N 0 0 247.363 4.538 20 0 BJADRN Cc1cnc([C@@H](C)S[C@@H](C)c2ccccc2)o1 ZINC000539950042 324878957 /nfs/dbraw/zinc/87/89/57/324878957.db2.gz HOIMTWDCONSZPU-NWDGAFQWSA-N 0 0 247.363 4.538 20 0 BJADRN Cc1cnc([C@H](C)S[C@@H](C)c2ccccc2)o1 ZINC000539950043 324878752 /nfs/dbraw/zinc/87/87/52/324878752.db2.gz HOIMTWDCONSZPU-RYUDHWBXSA-N 0 0 247.363 4.538 20 0 BJADRN Cc1cnc([C@@H](C)S[C@H](C)c2ccccc2)o1 ZINC000539950044 324878684 /nfs/dbraw/zinc/87/86/84/324878684.db2.gz HOIMTWDCONSZPU-VXGBXAGGSA-N 0 0 247.363 4.538 20 0 BJADRN CCSc1cccc(N[C@H](C)c2ccco2)c1 ZINC000540827111 388819520 /nfs/dbraw/zinc/81/95/20/388819520.db2.gz PWEIVTCEFWMURP-LLVKDONJSA-N 0 0 247.363 4.565 20 0 BJADRN CCSc1cccc(N[C@@H](C)c2ccco2)c1 ZINC000540827112 324920635 /nfs/dbraw/zinc/92/06/35/324920635.db2.gz PWEIVTCEFWMURP-NSHDSACASA-N 0 0 247.363 4.565 20 0 BJADRN CCC(CC)S[C@@H](C)c1nc2ccccc2o1 ZINC000540857431 388819649 /nfs/dbraw/zinc/81/96/49/388819649.db2.gz JATKGWYLSUGWFG-JTQLQIEISA-N 0 0 249.379 4.811 20 0 BJADRN CCC(CC)S[C@H](C)c1nc2ccccc2o1 ZINC000540857432 324922728 /nfs/dbraw/zinc/92/27/28/324922728.db2.gz JATKGWYLSUGWFG-SNVBAGLBSA-N 0 0 249.379 4.811 20 0 BJADRN C[C@H](Nc1csc2ccccc12)c1ccoc1 ZINC000540918549 324931018 /nfs/dbraw/zinc/93/10/18/324931018.db2.gz QKOSRIOVYNKNSU-JTQLQIEISA-N 0 0 243.331 4.667 20 0 BJADRN C[C@@H](Nc1csc2ccccc12)c1ccoc1 ZINC000540918572 388826584 /nfs/dbraw/zinc/82/65/84/388826584.db2.gz QKOSRIOVYNKNSU-SNVBAGLBSA-N 0 0 243.331 4.667 20 0 BJADRN CC[C@H](Sc1cccc(O)c1)c1ccccc1 ZINC000541832732 388869700 /nfs/dbraw/zinc/86/97/00/388869700.db2.gz PDQPDHGEJDXEOB-HNNXBMFYSA-N 0 0 244.359 4.636 20 0 BJADRN CC[C@@H](Sc1cccc(O)c1)c1ccccc1 ZINC000541832733 324982045 /nfs/dbraw/zinc/98/20/45/324982045.db2.gz PDQPDHGEJDXEOB-OAHLLOKOSA-N 0 0 244.359 4.636 20 0 BJADRN Cc1ccccc1[C@@H](C)Sc1cccc(O)c1 ZINC000544672774 325153979 /nfs/dbraw/zinc/15/39/79/325153979.db2.gz AWPBXAPIGQWWEJ-GFCCVEGCSA-N 0 0 244.359 4.554 20 0 BJADRN Cc1ccccc1[C@H](C)Sc1cccc(O)c1 ZINC000544672786 325153998 /nfs/dbraw/zinc/15/39/98/325153998.db2.gz AWPBXAPIGQWWEJ-LBPRGKRZSA-N 0 0 244.359 4.554 20 0 BJADRN Cc1cccc([C@@H](C)Sc2cccc(O)c2)c1 ZINC000544673063 325153986 /nfs/dbraw/zinc/15/39/86/325153986.db2.gz HPGMBPMLEKTWQB-GFCCVEGCSA-N 0 0 244.359 4.554 20 0 BJADRN Cc1cccc([C@H](C)Sc2cccc(O)c2)c1 ZINC000544673064 325154262 /nfs/dbraw/zinc/15/42/62/325154262.db2.gz HPGMBPMLEKTWQB-LBPRGKRZSA-N 0 0 244.359 4.554 20 0 BJADRN CC(C)=CCC[C@@H](C)Nc1cccc2cc[nH]c21 ZINC000548181467 388520972 /nfs/dbraw/zinc/52/09/72/388520972.db2.gz LGHQYHNUJUTARW-CYBMUJFWSA-N 0 0 242.366 4.715 20 0 BJADRN CC(C)=CCC[C@H](C)Nc1cccc2cc[nH]c21 ZINC000548181468 325439529 /nfs/dbraw/zinc/43/95/29/325439529.db2.gz LGHQYHNUJUTARW-ZDUSSCGKSA-N 0 0 242.366 4.715 20 0 BJADRN CC[C@H](Sc1ccncc1C)c1ccccc1 ZINC000549420602 325502325 /nfs/dbraw/zinc/50/23/25/325502325.db2.gz KYJZSABXZRAONI-AWEZNQCLSA-N 0 0 243.375 4.633 20 0 BJADRN CC[C@@H](Sc1ccncc1C)c1ccccc1 ZINC000549420608 388579979 /nfs/dbraw/zinc/57/99/79/388579979.db2.gz KYJZSABXZRAONI-CQSZACIVSA-N 0 0 243.375 4.633 20 0 BJADRN C/C=C\c1ccc(NCc2ccsc2C)cc1 ZINC000550217254 388602063 /nfs/dbraw/zinc/60/20/63/388602063.db2.gz QUKCKGOXZINILR-ARJAWSKDSA-N 0 0 243.375 4.702 20 0 BJADRN C/C=C/c1ccc(NCc2ccsc2C)cc1 ZINC000550217255 388602830 /nfs/dbraw/zinc/60/28/30/388602830.db2.gz QUKCKGOXZINILR-ONEGZZNKSA-N 0 0 243.375 4.702 20 0 BJADRN c1ccc2c(c1)nccc2SC1CCCCC1 ZINC000553867499 388792156 /nfs/dbraw/zinc/79/21/56/388792156.db2.gz YYEACLKDWGHXSO-UHFFFAOYSA-N 0 0 243.375 4.660 20 0 BJADRN C/C=C/c1ccc(N[C@H](C)c2ccsc2)cc1 ZINC000554091070 325705984 /nfs/dbraw/zinc/70/59/84/325705984.db2.gz AQELASPYFCQAPG-AAOUONPWSA-N 0 0 243.375 4.954 20 0 BJADRN C/C=C\c1ccc(N[C@@H](C)c2ccsc2)cc1 ZINC000554091071 388799656 /nfs/dbraw/zinc/79/96/56/388799656.db2.gz AQELASPYFCQAPG-MVZIDQBPSA-N 0 0 243.375 4.954 20 0 BJADRN C/C=C/c1ccc(N[C@@H](C)c2ccsc2)cc1 ZINC000554091072 388799829 /nfs/dbraw/zinc/79/98/29/388799829.db2.gz AQELASPYFCQAPG-PCAWENJQSA-N 0 0 243.375 4.954 20 0 BJADRN C/C=C\c1ccc(N[C@H](C)c2ccsc2)cc1 ZINC000554091073 388798971 /nfs/dbraw/zinc/79/89/71/388798971.db2.gz AQELASPYFCQAPG-VSQXVHSFSA-N 0 0 243.375 4.954 20 0 BJADRN Cc1cccc([C@@H](C)Sc2ccncc2C)c1 ZINC000555088413 325744781 /nfs/dbraw/zinc/74/47/81/325744781.db2.gz XFTYCEHTZIUTAX-CYBMUJFWSA-N 0 0 243.375 4.552 20 0 BJADRN Cc1cccc([C@H](C)Sc2ccncc2C)c1 ZINC000555088414 325744427 /nfs/dbraw/zinc/74/44/27/325744427.db2.gz XFTYCEHTZIUTAX-ZDUSSCGKSA-N 0 0 243.375 4.552 20 0 BJADRN FCCCCCSCCCc1ccsc1 ZINC000556297187 388872923 /nfs/dbraw/zinc/87/29/23/388872923.db2.gz WWKRCYRMNGRJKO-UHFFFAOYSA-N 0 0 246.416 4.554 20 0 BJADRN CC1=CC[C@@H](Nc2cccc(C(F)F)c2)CC1 ZINC000556813248 384500231 /nfs/dbraw/zinc/50/02/31/384500231.db2.gz KENTVAQAGHFEFQ-GFCCVEGCSA-N 0 0 237.293 4.535 20 0 BJADRN CC1=CC[C@H](Nc2cccc(C(F)F)c2)CC1 ZINC000556813253 322926662 /nfs/dbraw/zinc/92/66/62/322926662.db2.gz KENTVAQAGHFEFQ-LBPRGKRZSA-N 0 0 237.293 4.535 20 0 BJADRN C/C=C\c1ccc(N[C@H](C)c2ccc(C)o2)cc1 ZINC000558254230 383880738 /nfs/dbraw/zinc/88/07/38/383880738.db2.gz ANDADKIHFGLXBT-DSYXLKISSA-N 0 0 241.334 4.794 20 0 BJADRN C/C=C/c1ccc(N[C@@H](C)c2ccc(C)o2)cc1 ZINC000558254246 322948140 /nfs/dbraw/zinc/94/81/40/322948140.db2.gz ANDADKIHFGLXBT-IHVVCDCBSA-N 0 0 241.334 4.794 20 0 BJADRN C/C=C/c1ccc(N[C@H](C)c2ccc(C)o2)cc1 ZINC000558254249 322948099 /nfs/dbraw/zinc/94/80/99/322948099.db2.gz ANDADKIHFGLXBT-MUBLQREKSA-N 0 0 241.334 4.794 20 0 BJADRN C/C=C\c1ccc(N[C@@H](C)c2ccc(C)o2)cc1 ZINC000558254252 383884367 /nfs/dbraw/zinc/88/43/67/383884367.db2.gz ANDADKIHFGLXBT-ZFDPJTLLSA-N 0 0 241.334 4.794 20 0 BJADRN C/C=C\c1ccc(N[C@@H](C)c2cccs2)cc1 ZINC000558256217 322948315 /nfs/dbraw/zinc/94/83/15/322948315.db2.gz GPRKDGQETBPNOT-FHMRSRPSSA-N 0 0 243.375 4.954 20 0 BJADRN C/C=C\c1ccc(N[C@H](C)c2cccs2)cc1 ZINC000558256222 322948199 /nfs/dbraw/zinc/94/81/99/322948199.db2.gz GPRKDGQETBPNOT-KTLBGCOUSA-N 0 0 243.375 4.954 20 0 BJADRN C/C=C/c1ccc(N[C@H](C)c2cccs2)cc1 ZINC000558256223 322948196 /nfs/dbraw/zinc/94/81/96/322948196.db2.gz GPRKDGQETBPNOT-OGOUPESXSA-N 0 0 243.375 4.954 20 0 BJADRN C/C=C/c1ccc(N[C@@H](C)c2cccs2)cc1 ZINC000558256225 383886684 /nfs/dbraw/zinc/88/66/84/383886684.db2.gz GPRKDGQETBPNOT-PYEVWLCESA-N 0 0 243.375 4.954 20 0 BJADRN Cc1ccccc1[C@@H](C)Sc1ccncc1C ZINC000558873187 322956155 /nfs/dbraw/zinc/95/61/55/322956155.db2.gz UJSJCGHOSCPFME-CYBMUJFWSA-N 0 0 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ZINC000565913739 388979320 /nfs/dbraw/zinc/97/93/20/388979320.db2.gz QXUPILNINWFUQQ-LLVKDONJSA-N 0 0 247.363 4.588 20 0 BJADRN CC(C)=CCS[C@@H](C)c1nc2ccccc2o1 ZINC000565913740 388978097 /nfs/dbraw/zinc/97/80/97/388978097.db2.gz QXUPILNINWFUQQ-NSHDSACASA-N 0 0 247.363 4.588 20 0 BJADRN Cc1occc1SCc1sccc1Cl ZINC000568139260 326312162 /nfs/dbraw/zinc/31/21/62/326312162.db2.gz JCMWPCKZJGXVFO-UHFFFAOYSA-N 0 0 244.768 4.595 20 0 BJADRN CCCC(CCC)S[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000569006276 326386502 /nfs/dbraw/zinc/38/65/02/326386502.db2.gz MWPRFLQFTRTWQC-DABQJJPHSA-N 0 0 244.444 4.644 20 0 BJADRN CCCC(CCC)S[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000569006277 326386445 /nfs/dbraw/zinc/38/64/45/326386445.db2.gz MWPRFLQFTRTWQC-IMRBUKKESA-N 0 0 244.444 4.644 20 0 BJADRN CCCC(CCC)SCCCOC(C)C ZINC000569044886 326387627 /nfs/dbraw/zinc/38/76/27/326387627.db2.gz UUNOBXWHPXEJHM-UHFFFAOYSA-N 0 0 232.433 4.504 20 0 BJADRN C/C=C\c1ccc(NCc2ccc(C)s2)cc1 ZINC000569444648 322966201 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0 0 249.313 4.532 20 0 BJADRN Cc1cc(F)ccc1-c1nc(C2CCC2)cs1 ZINC000584324079 582962923 /nfs/dbraw/zinc/96/29/23/582962923.db2.gz XXGDNGGXRQRJOV-UHFFFAOYSA-N 0 0 247.338 4.525 20 0 BJADRN CCCC[C@@H](CCC)Sc1nc(C)c(C)o1 ZINC000592561915 347801266 /nfs/dbraw/zinc/80/12/66/347801266.db2.gz YRINGEHHJRHWKA-GFCCVEGCSA-N 0 0 241.400 4.742 20 0 BJADRN CCCC[C@H](CCC)Sc1nc(C)c(C)o1 ZINC000592561920 347801206 /nfs/dbraw/zinc/80/12/06/347801206.db2.gz YRINGEHHJRHWKA-LBPRGKRZSA-N 0 0 241.400 4.742 20 0 BJADRN Cc1ccc(-c2nc(C(C)C)cs2)c(C)c1 ZINC000594039535 347994923 /nfs/dbraw/zinc/99/49/23/347994923.db2.gz GAGVDEWFVXTYBT-UHFFFAOYSA-N 0 0 231.364 4.550 20 0 BJADRN CC[C@@H](SCc1cncs1)c1ccccc1 ZINC000594890480 348124759 /nfs/dbraw/zinc/12/47/59/348124759.db2.gz CWUWVGLXKHEUGQ-CYBMUJFWSA-N 0 0 249.404 4.528 20 0 BJADRN CC[C@H](SCc1cncs1)c1ccccc1 ZINC000594890483 348124720 /nfs/dbraw/zinc/12/47/20/348124720.db2.gz CWUWVGLXKHEUGQ-ZDUSSCGKSA-N 0 0 249.404 4.528 20 0 BJADRN CC[C@H](CSCCCCCF)CC(F)F ZINC000596361470 348524925 /nfs/dbraw/zinc/52/49/25/348524925.db2.gz UHUHCTJHXJFREO-JTQLQIEISA-N 0 0 242.350 4.541 20 0 BJADRN CC[C@@H](CSCCCCCF)CC(F)F ZINC000596361484 348525073 /nfs/dbraw/zinc/52/50/73/348525073.db2.gz UHUHCTJHXJFREO-SNVBAGLBSA-N 0 0 242.350 4.541 20 0 BJADRN CC[C@@H](Sc1cccs1)c1ccccc1 ZINC000599114567 349100013 /nfs/dbraw/zinc/10/00/13/349100013.db2.gz NDBSLHPOYPJVQV-GFCCVEGCSA-N 0 0 234.389 4.992 20 0 BJADRN CC[C@H](Sc1cccs1)c1ccccc1 ZINC000599114568 349100364 /nfs/dbraw/zinc/10/03/64/349100364.db2.gz NDBSLHPOYPJVQV-LBPRGKRZSA-N 0 0 234.389 4.992 20 0 BJADRN Cc1ccc(C)c(CSc2cccs2)c1 ZINC000599114584 349100395 /nfs/dbraw/zinc/10/03/95/349100395.db2.gz QWOCYBGVZSJHPR-UHFFFAOYSA-N 0 0 234.389 4.657 20 0 BJADRN Cc1ccc(C)c(S[C@H](C)c2ccncc2)c1 ZINC000599123894 349101292 /nfs/dbraw/zinc/10/12/92/349101292.db2.gz RIUVJBOPTGJIQA-CYBMUJFWSA-N 0 0 243.375 4.552 20 0 BJADRN Cc1ccc(C)c(S[C@@H](C)c2ccncc2)c1 ZINC000599123901 349101403 /nfs/dbraw/zinc/10/14/03/349101403.db2.gz RIUVJBOPTGJIQA-ZDUSSCGKSA-N 0 0 243.375 4.552 20 0 BJADRN C[C@@H](S[C@@H](C)c1ccccc1)c1ccncc1 ZINC000600601518 344337725 /nfs/dbraw/zinc/33/77/25/344337725.db2.gz FOEISKGKCZSMKA-QWHCGFSZSA-N 0 0 243.375 4.637 20 0 BJADRN C[C@H](S[C@@H](C)c1ccncc1)c1ccccc1 ZINC000600601519 344337924 /nfs/dbraw/zinc/33/79/24/344337924.db2.gz FOEISKGKCZSMKA-STQMWFEESA-N 0 0 243.375 4.637 20 0 BJADRN C[C@H](SC1CCCC1)c1ccccc1F ZINC000603748500 350020925 /nfs/dbraw/zinc/02/09/25/350020925.db2.gz YPBSDKKIEXGHRM-JTQLQIEISA-N 0 0 224.344 4.563 20 0 BJADRN C[C@@H](SC1CCCC1)c1ccccc1F ZINC000603748501 350021115 /nfs/dbraw/zinc/02/11/15/350021115.db2.gz YPBSDKKIEXGHRM-SNVBAGLBSA-N 0 0 224.344 4.563 20 0 BJADRN CSc1ccc(CSC2CCCC2)cc1 ZINC000603823961 350041014 /nfs/dbraw/zinc/04/10/14/350041014.db2.gz VRVMFNRGTCOZPQ-UHFFFAOYSA-N 0 0 238.421 4.584 20 0 BJADRN C[C@@H](SC1CCCC1)c1c(F)cccc1F ZINC000603899574 350052104 /nfs/dbraw/zinc/05/21/04/350052104.db2.gz FYZLMMMFPKWQKR-SECBINFHSA-N 0 0 242.334 4.702 20 0 BJADRN C[C@H](SC1CCCC1)c1c(F)cccc1F ZINC000603899580 350052078 /nfs/dbraw/zinc/05/20/78/350052078.db2.gz FYZLMMMFPKWQKR-VIFPVBQESA-N 0 0 242.334 4.702 20 0 BJADRN CC(C)CCSCc1cccc2cccnc21 ZINC000604061085 350074137 /nfs/dbraw/zinc/07/41/37/350074137.db2.gz KVHSCEMNRIPTMT-UHFFFAOYSA-N 0 0 245.391 4.514 20 0 BJADRN C[C@H](SC1CCCC1)c1cccc(F)c1 ZINC000604113604 350079604 /nfs/dbraw/zinc/07/96/04/350079604.db2.gz RXPMDSUTYMEMRO-JTQLQIEISA-N 0 0 224.344 4.563 20 0 BJADRN C[C@@H](SC1CCCC1)c1cccc(F)c1 ZINC000604113605 350079644 /nfs/dbraw/zinc/07/96/44/350079644.db2.gz RXPMDSUTYMEMRO-SNVBAGLBSA-N 0 0 224.344 4.563 20 0 BJADRN C[C@@H](SC1CCCC1)c1cc(F)ccc1F ZINC000604113610 350079440 /nfs/dbraw/zinc/07/94/40/350079440.db2.gz SCAZFFIHGUTQIW-SECBINFHSA-N 0 0 242.334 4.702 20 0 BJADRN C[C@H](SC1CCCC1)c1cc(F)ccc1F ZINC000604113611 350079648 /nfs/dbraw/zinc/07/96/48/350079648.db2.gz SCAZFFIHGUTQIW-VIFPVBQESA-N 0 0 242.334 4.702 20 0 BJADRN CCCC(CCC)S[C@H](C)c1cccnc1 ZINC000604498922 398106451 /nfs/dbraw/zinc/10/64/51/398106451.db2.gz RIECPJXVJBHZDR-GFCCVEGCSA-N 0 0 237.412 4.845 20 0 BJADRN CCCC(CCC)S[C@@H](C)c1cccnc1 ZINC000604498923 398106675 /nfs/dbraw/zinc/10/66/75/398106675.db2.gz RIECPJXVJBHZDR-LBPRGKRZSA-N 0 0 237.412 4.845 20 0 BJADRN CCC(CC)SCc1cccc2cccnc21 ZINC000604565208 350156489 /nfs/dbraw/zinc/15/64/89/350156489.db2.gz CYOLRCMKQDJULX-UHFFFAOYSA-N 0 0 245.391 4.657 20 0 BJADRN C[C@@H](Sc1cccs1)c1cccc(F)c1 ZINC000604931049 350204079 /nfs/dbraw/zinc/20/40/79/350204079.db2.gz BPJNWEYAZNZXNT-SECBINFHSA-N 0 0 238.352 4.741 20 0 BJADRN C[C@H](Sc1cccs1)c1cccc(F)c1 ZINC000604931050 350203782 /nfs/dbraw/zinc/20/37/82/350203782.db2.gz BPJNWEYAZNZXNT-VIFPVBQESA-N 0 0 238.352 4.741 20 0 BJADRN Cc1cc(CSc2cccs2)c(C)s1 ZINC000604931504 350204085 /nfs/dbraw/zinc/20/40/85/350204085.db2.gz PWHLXXCUFVQNOI-UHFFFAOYSA-N 0 0 240.418 4.719 20 0 BJADRN Cc1cc(C)cc(CSc2cccs2)c1 ZINC000604931576 350203768 /nfs/dbraw/zinc/20/37/68/350203768.db2.gz ZCTJMJDJKXKYHK-UHFFFAOYSA-N 0 0 234.389 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/nfs/dbraw/zinc/33/38/25/589333825.db2.gz AWRZYSYSTDZRFZ-UHFFFAOYSA-N 0 0 243.325 4.561 20 0 BJADRN CC(C)c1ccccc1CNc1ccc(F)cc1 ZINC000864018288 589333814 /nfs/dbraw/zinc/33/38/14/589333814.db2.gz BILBXMINPODPBA-UHFFFAOYSA-N 0 0 243.325 4.561 20 0 BJADRN Cc1ccc(NCc2ccccc2C(C)C)cc1 ZINC000864018320 589333739 /nfs/dbraw/zinc/33/37/39/589333739.db2.gz CRLXZULIQOREFC-UHFFFAOYSA-N 0 0 239.362 4.731 20 0 BJADRN Cc1cccc(NCc2ccccc2C(C)C)c1 ZINC000864018645 589333698 /nfs/dbraw/zinc/33/36/98/589333698.db2.gz MTZWMCSSEIWNAI-UHFFFAOYSA-N 0 0 239.362 4.731 20 0 BJADRN CC(C)c1ccccc1CNc1ccccc1F ZINC000864022181 589333853 /nfs/dbraw/zinc/33/38/53/589333853.db2.gz GPKVMYHMAUKSEM-UHFFFAOYSA-N 0 0 243.325 4.561 20 0 BJADRN CC[C@@H](C)c1ccccc1OC(=O)CC(C)(C)C ZINC000898065936 584081736 /nfs/dbraw/zinc/08/17/36/584081736.db2.gz PFHWXFBZRLZWTL-GFCCVEGCSA-N 0 0 248.366 4.542 20 0 BJADRN CC[C@H](C)c1ccccc1OC(=O)CC(C)(C)C ZINC000898065942 584082072 /nfs/dbraw/zinc/08/20/72/584082072.db2.gz PFHWXFBZRLZWTL-LBPRGKRZSA-N 0 0 248.366 4.542 20 0 BJADRN CCC(CC)C(=O)Oc1ccccc1[C@H](C)CC ZINC000898068692 584082407 /nfs/dbraw/zinc/08/24/07/584082407.db2.gz QDJDXOHLMGQDNB-GFCCVEGCSA-N 0 0 248.366 4.542 20 0 BJADRN CCC(CC)C(=O)Oc1ccccc1[C@@H](C)CC ZINC000898068693 584082750 /nfs/dbraw/zinc/08/27/50/584082750.db2.gz QDJDXOHLMGQDNB-LBPRGKRZSA-N 0 0 248.366 4.542 20 0 BJADRN CCC[C@@H](C)C(=O)Oc1ccccc1[C@H](C)CC ZINC000898076533 584083321 /nfs/dbraw/zinc/08/33/21/584083321.db2.gz HLVZRKPTMINUTG-CHWSQXEVSA-N 0 0 248.366 4.542 20 0 BJADRN CCC[C@H](C)C(=O)Oc1ccccc1[C@H](C)CC ZINC000898076534 584083152 /nfs/dbraw/zinc/08/31/52/584083152.db2.gz HLVZRKPTMINUTG-OLZOCXBDSA-N 0 0 248.366 4.542 20 0 BJADRN CCC[C@@H](C)C(=O)Oc1ccccc1[C@@H](C)CC ZINC000898076535 584083166 /nfs/dbraw/zinc/08/31/66/584083166.db2.gz HLVZRKPTMINUTG-QWHCGFSZSA-N 0 0 248.366 4.542 20 0 BJADRN CCC[C@H](C)C(=O)Oc1ccccc1[C@@H](C)CC ZINC000898076536 584083307 /nfs/dbraw/zinc/08/33/07/584083307.db2.gz HLVZRKPTMINUTG-STQMWFEESA-N 0 0 248.366 4.542 20 0 BJADRN CC(F)(F)CCCSCCCC(C)(F)F ZINC000902572334 584636184 /nfs/dbraw/zinc/63/61/84/584636184.db2.gz MEWRVCOECSBDQR-UHFFFAOYSA-N 0 0 246.313 4.590 20 0 BJADRN C1CCC(c2nc(C3CCCCCC3)no2)CC1 ZINC000904680078 637450585 /nfs/dbraw/zinc/45/05/85/637450585.db2.gz XOBQOMIVWKZLQX-UHFFFAOYSA-N 0 0 248.370 4.555 20 0 BJADRN CCCCCCC(=O)Nc1ccccc1CCC ZINC000914744812 641759822 /nfs/dbraw/zinc/75/98/22/641759822.db2.gz QMMJQYNJWVPKTC-UHFFFAOYSA-N 0 0 247.382 4.548 20 0 BJADRN CCC(C)(C)c1ccc(Oc2nccs2)cc1 ZINC000914864582 641777826 /nfs/dbraw/zinc/77/78/26/641777826.db2.gz VPUISSDFGAQGGY-UHFFFAOYSA-N 0 0 247.363 4.623 20 0 BJADRN Cc1ccc(SCCSC(C)(C)C)cc1 ZINC000916533334 641946190 /nfs/dbraw/zinc/94/61/90/641946190.db2.gz AAZMJQPMZPPBSR-UHFFFAOYSA-N 0 0 240.437 4.619 20 0 BJADRN Cc1ccccc1-c1csc(C2CCCC2)n1 ZINC000917629712 642101767 /nfs/dbraw/zinc/10/17/67/642101767.db2.gz ROGQWYQFYJQEPS-UHFFFAOYSA-N 0 0 243.375 4.776 20 0 BJADRN CC(C)c1ccc(SCc2cscn2)cc1 ZINC000928992236 645926081 /nfs/dbraw/zinc/92/60/81/645926081.db2.gz NFKMVMSRHPUGQA-UHFFFAOYSA-N 0 0 249.404 4.559 20 0 BJADRN