smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CC=C(/C=C/c2cccc3ccccc23)CC1 ZINC000001560219 342702905 /nfs/dbraw/zinc/70/29/05/342702905.db2.gz BPVAGRSEOWNGCE-MDZDMXLPSA-N 0 3 249.357 4.115 10 0 BIAEHN CN1CC=C(c2ccc(-c3ccccc3)cc2)CC1 ZINC000013604476 343096379 /nfs/dbraw/zinc/09/63/79/343096379.db2.gz JCXIFIULUUEWAX-UHFFFAOYSA-N 0 3 249.357 4.073 10 0 BIAEHN CN1CC=C(/C=C\c2cccc3ccccc23)CC1 ZINC000016976875 343390556 /nfs/dbraw/zinc/39/05/56/343390556.db2.gz BPVAGRSEOWNGCE-KTKRTIGZSA-N 0 3 249.357 4.115 10 0 BIAEHN CC(C)(C)c1ccc([C@@H](N)c2ccccc2)cc1 ZINC000019804002 187252845 /nfs/dbraw/zinc/25/28/45/187252845.db2.gz NRSCMEQSAAPNOG-INIZCTEOSA-N 0 3 239.362 4.032 10 0 BIAEHN Cc1ccc([C@@H](N)c2ccc(Cl)cc2)cc1C ZINC000019804062 178861867 /nfs/dbraw/zinc/86/18/67/178861867.db2.gz UTVCYRTZUZXISI-HNNXBMFYSA-N 0 3 245.753 4.005 10 0 BIAEHN Cc1cccc([C@@H](N)c2ccc(Cl)cc2)c1C ZINC000019804081 179187039 /nfs/dbraw/zinc/18/70/39/179187039.db2.gz IRPZHAFNXORABP-HNNXBMFYSA-N 0 3 245.753 4.005 10 0 BIAEHN Cc1cccc([C@H](N)c2ccc(Cl)cc2)c1C ZINC000019804082 179199908 /nfs/dbraw/zinc/19/99/08/179199908.db2.gz IRPZHAFNXORABP-OAHLLOKOSA-N 0 3 245.753 4.005 10 0 BIAEHN CCCCCN[C@H](c1ccco1)c1ccccc1 ZINC000019901478 259385271 /nfs/dbraw/zinc/38/52/71/259385271.db2.gz NPOXDDORZAIFKL-INIZCTEOSA-N 0 3 243.350 4.149 10 0 BIAEHN CCCCCN[C@@H](c1ccco1)c1ccccc1 ZINC000019901479 259385409 /nfs/dbraw/zinc/38/54/09/259385409.db2.gz NPOXDDORZAIFKL-MRXNPFEDSA-N 0 3 243.350 4.149 10 0 BIAEHN NCc1ccccc1Oc1cccc2ccccc21 ZINC000020076351 187315539 /nfs/dbraw/zinc/31/55/39/187315539.db2.gz MSQDUPIFFNCTGG-UHFFFAOYSA-N 0 3 249.313 4.091 10 0 BIAEHN Cc1ccccc1[C@H](C)N[C@H](C)c1cccs1 ZINC000020126184 179338552 /nfs/dbraw/zinc/33/85/52/179338552.db2.gz GMZATXHAQPGUCX-QWHCGFSZSA-N 0 3 245.391 4.468 10 0 BIAEHN Cc1ccccc1[C@H](C)N[C@@H](C)c1cccs1 ZINC000020126185 179339413 /nfs/dbraw/zinc/33/94/13/179339413.db2.gz GMZATXHAQPGUCX-STQMWFEESA-N 0 3 245.391 4.468 10 0 BIAEHN C[C@@H](N[C@H]1CCc2ccccc21)c1cccs1 ZINC000020129764 342971140 /nfs/dbraw/zinc/97/11/40/342971140.db2.gz YDJOAHOVWSETEC-RISCZKNCSA-N 0 3 243.375 4.086 10 0 BIAEHN C[C@H](N[C@H]1CCc2ccccc21)c1cccs1 ZINC000020129766 342971098 /nfs/dbraw/zinc/97/10/98/342971098.db2.gz YDJOAHOVWSETEC-FZMZJTMJSA-N 0 3 243.375 4.086 10 0 BIAEHN Cc1cccc(CN[C@H](C)c2ccccc2C)c1 ZINC000020134199 179099449 /nfs/dbraw/zinc/09/94/49/179099449.db2.gz RVVLSQOXCIAVAC-OAHLLOKOSA-N 0 3 239.362 4.154 10 0 BIAEHN Cc1cccc(CN[C@@H](C)c2ccccc2C)c1 ZINC000020134203 179098678 /nfs/dbraw/zinc/09/86/78/179098678.db2.gz RVVLSQOXCIAVAC-HNNXBMFYSA-N 0 3 239.362 4.154 10 0 BIAEHN C[C@@H](N[C@@H](C)c1cccs1)c1cccc(F)c1 ZINC000020147860 342972043 /nfs/dbraw/zinc/97/20/43/342972043.db2.gz AKSGPGZVMUUFFH-MNOVXSKESA-N 0 3 249.354 4.299 10 0 BIAEHN C[C@H](N[C@@H](C)c1cccc(F)c1)c1cccs1 ZINC000020147861 384586662 /nfs/dbraw/zinc/58/66/62/384586662.db2.gz AKSGPGZVMUUFFH-QWRGUYRKSA-N 0 3 249.354 4.299 10 0 BIAEHN C[C@@H](N[C@H](C)c1cccc(F)c1)c1cccs1 ZINC000020147862 342972107 /nfs/dbraw/zinc/97/21/07/342972107.db2.gz AKSGPGZVMUUFFH-GHMZBOCLSA-N 0 3 249.354 4.299 10 0 BIAEHN C[C@@H](N[C@@H](C)c1cccc(F)c1)c1cccs1 ZINC000020147863 342972111 /nfs/dbraw/zinc/97/21/11/342972111.db2.gz AKSGPGZVMUUFFH-WDEREUQCSA-N 0 3 249.354 4.299 10 0 BIAEHN C[C@@H](N[C@@H](C)c1cccs1)c1cccs1 ZINC000020148283 347412797 /nfs/dbraw/zinc/41/27/97/347412797.db2.gz DGWVEABEWMXZCW-AOOOYVTPSA-N 0 3 237.393 4.221 10 0 BIAEHN C[C@H](N[C@@H](C)c1cccs1)c1cccs1 ZINC000020148284 385422116 /nfs/dbraw/zinc/42/21/16/385422116.db2.gz DGWVEABEWMXZCW-UWVGGRQHSA-N 0 3 237.393 4.221 10 0 BIAEHN C[C@@H](N[C@H](C)c1cccs1)c1cccs1 ZINC000020148285 347412612 /nfs/dbraw/zinc/41/26/12/347412612.db2.gz DGWVEABEWMXZCW-NXEZZACHSA-N 0 3 237.393 4.221 10 0 BIAEHN Cc1ccccc1[C@H](N)c1ccc(C(C)C)cc1 ZINC000020391579 179343116 /nfs/dbraw/zinc/34/31/16/179343116.db2.gz SELBVYIDUBWBAO-QGZVFWFLSA-N 0 3 239.362 4.167 10 0 BIAEHN Cc1ccccc1[C@@H](N)c1ccc(C(C)C)cc1 ZINC000020391582 179325417 /nfs/dbraw/zinc/32/54/17/179325417.db2.gz SELBVYIDUBWBAO-KRWDZBQOSA-N 0 3 239.362 4.167 10 0 BIAEHN Cc1cc([C@H](C)N[C@H](C)c2cccs2)c(C)o1 ZINC000020439261 178257154 /nfs/dbraw/zinc/25/71/54/178257154.db2.gz LNQWECFQEQLTIW-WDEREUQCSA-N 0 3 249.379 4.370 10 0 BIAEHN Cc1cc([C@H](C)N[C@@H](C)c2cccs2)c(C)o1 ZINC000020439266 178253560 /nfs/dbraw/zinc/25/35/60/178253560.db2.gz LNQWECFQEQLTIW-QWRGUYRKSA-N 0 3 249.379 4.370 10 0 BIAEHN Cc1cc([C@@H](C)N[C@H](C)c2cccs2)c(C)o1 ZINC000020439270 178232483 /nfs/dbraw/zinc/23/24/83/178232483.db2.gz LNQWECFQEQLTIW-GHMZBOCLSA-N 0 3 249.379 4.370 10 0 BIAEHN Cc1cc([C@@H](C)N[C@@H](C)c2cccs2)c(C)o1 ZINC000020439274 178231108 /nfs/dbraw/zinc/23/11/08/178231108.db2.gz LNQWECFQEQLTIW-MNOVXSKESA-N 0 3 249.379 4.370 10 0 BIAEHN CCCCN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000021050348 590164766 /nfs/dbraw/zinc/16/47/66/590164766.db2.gz MULWVPWPCOFDJV-VIFPVBQESA-N 0 3 246.181 4.444 10 0 BIAEHN CCCCN[C@H](C)c1ccc(Cl)cc1Cl ZINC000021050353 590164728 /nfs/dbraw/zinc/16/47/28/590164728.db2.gz MULWVPWPCOFDJV-SECBINFHSA-N 0 3 246.181 4.444 10 0 BIAEHN CC(C)CN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000021812147 187318870 /nfs/dbraw/zinc/31/88/70/187318870.db2.gz DHIWBOAQLSLHSY-VIFPVBQESA-N 0 3 246.181 4.300 10 0 BIAEHN CC(C)CN[C@H](C)c1ccc(Cl)cc1Cl ZINC000021812148 167013931 /nfs/dbraw/zinc/01/39/31/167013931.db2.gz DHIWBOAQLSLHSY-SECBINFHSA-N 0 3 246.181 4.300 10 0 BIAEHN Clc1ccc(/C=N/CCc2ccccc2)cc1 ZINC000032191725 345741752 /nfs/dbraw/zinc/74/17/52/345741752.db2.gz DXEDQNQOYVPKRF-SFQUDFHCSA-N 0 3 243.737 4.002 10 0 BIAEHN CC[C@@H](c1ccccc1Cl)N1CCCCC1 ZINC000033867358 343261957 /nfs/dbraw/zinc/26/19/57/343261957.db2.gz JKNUTRCLBCBBJU-AWEZNQCLSA-N 0 3 237.774 4.277 10 0 BIAEHN CC[C@H](c1ccccc1Cl)N1CCCCC1 ZINC000033867359 343261977 /nfs/dbraw/zinc/26/19/77/343261977.db2.gz JKNUTRCLBCBBJU-CQSZACIVSA-N 0 3 237.774 4.277 10 0 BIAEHN CCCC=C1CCN(Cc2ccccc2)CC1 ZINC000034413002 343270346 /nfs/dbraw/zinc/27/03/46/343270346.db2.gz FNDJPBCXMYYKSE-UHFFFAOYSA-N 0 3 229.367 4.009 10 0 BIAEHN Cc1cc([C@@H](N)c2cc(C)ccc2C)c(C)s1 ZINC000034940750 351358031 /nfs/dbraw/zinc/35/80/31/351358031.db2.gz CUIBDBHROMHVAW-HNNXBMFYSA-N 0 3 245.391 4.030 10 0 BIAEHN Cc1cc([C@@H](N)c2cccc(C)c2C)c(C)s1 ZINC000034940788 178238200 /nfs/dbraw/zinc/23/82/00/178238200.db2.gz HCFDBLMWMFCZLS-HNNXBMFYSA-N 0 3 245.391 4.030 10 0 BIAEHN Cc1cc([C@H](N)c2cccc(C)c2C)c(C)s1 ZINC000034940789 178262644 /nfs/dbraw/zinc/26/26/44/178262644.db2.gz HCFDBLMWMFCZLS-OAHLLOKOSA-N 0 3 245.391 4.030 10 0 BIAEHN Cc1cc([C@@H](N)c2ccc(C)cc2C)c(C)s1 ZINC000034940798 351355864 /nfs/dbraw/zinc/35/58/64/351355864.db2.gz OCIBWWZVTPZFAM-HNNXBMFYSA-N 0 3 245.391 4.030 10 0 BIAEHN Cc1cc([C@@H](N)c2ccc(C)c(C)c2)c(C)s1 ZINC000034940816 178238179 /nfs/dbraw/zinc/23/81/79/178238179.db2.gz XKIJXZVDBWEHBV-HNNXBMFYSA-N 0 3 245.391 4.030 10 0 BIAEHN Cc1cc([C@H](N)c2ccc(C)c(C)c2)c(C)s1 ZINC000034940817 178263313 /nfs/dbraw/zinc/26/33/13/178263313.db2.gz XKIJXZVDBWEHBV-OAHLLOKOSA-N 0 3 245.391 4.030 10 0 BIAEHN CC(C)[C@H](NCc1ccccc1)c1cccs1 ZINC000035016926 187594744 /nfs/dbraw/zinc/59/47/44/187594744.db2.gz ABMKZNJLTYRCMX-HNNXBMFYSA-N 0 3 245.391 4.235 10 0 BIAEHN CCN[C@H](c1cccs1)c1ccc(CC)cc1 ZINC000035117433 170147691 /nfs/dbraw/zinc/14/76/91/170147691.db2.gz BEOLTPNDLOLDDZ-HNNXBMFYSA-N 0 3 245.391 4.009 10 0 BIAEHN CCN[C@@H](c1cccs1)c1ccc(CC)cc1 ZINC000035117435 170163572 /nfs/dbraw/zinc/16/35/72/170163572.db2.gz BEOLTPNDLOLDDZ-OAHLLOKOSA-N 0 3 245.391 4.009 10 0 BIAEHN CCC[C@@H](C)Nc1cc(C)nc2ccccc21 ZINC000035206421 169371663 /nfs/dbraw/zinc/37/16/63/169371663.db2.gz OXQQICLFEWONNX-LLVKDONJSA-N 0 3 228.339 4.144 10 0 BIAEHN CCC(CC)CN[C@@H](C)c1cc(F)ccc1F ZINC000035256249 410010839 /nfs/dbraw/zinc/01/08/39/410010839.db2.gz MVSMWUSZIDTVAF-JTQLQIEISA-N 0 3 241.325 4.052 10 0 BIAEHN CCC(CC)CN[C@H](C)c1cc(F)ccc1F ZINC000035256250 410011179 /nfs/dbraw/zinc/01/11/79/410011179.db2.gz MVSMWUSZIDTVAF-SNVBAGLBSA-N 0 3 241.325 4.052 10 0 BIAEHN Cc1cc(C)c(C)c([C@@H](N)c2cccs2)c1C ZINC000035380214 177853809 /nfs/dbraw/zinc/85/38/09/177853809.db2.gz XRDBBIKSKSJQIO-HNNXBMFYSA-N 0 3 245.391 4.030 10 0 BIAEHN CC[C@H](C)c1ccc([C@H](N)c2ccsc2)cc1 ZINC000035380452 171411533 /nfs/dbraw/zinc/41/15/33/171411533.db2.gz XWIJLLZSZLFKCX-NHYWBVRUSA-N 0 3 245.391 4.310 10 0 BIAEHN CCCCc1ccc([C@H](N)c2ccsc2)cc1 ZINC000035380774 169023590 /nfs/dbraw/zinc/02/35/90/169023590.db2.gz ZNXCZHSVJZKQAK-HNNXBMFYSA-N 0 3 245.391 4.139 10 0 BIAEHN CCCCc1ccc([C@@H](N)c2ccsc2)cc1 ZINC000035380776 169021624 /nfs/dbraw/zinc/02/16/24/169021624.db2.gz ZNXCZHSVJZKQAK-OAHLLOKOSA-N 0 3 245.391 4.139 10 0 BIAEHN N[C@H](c1cccs1)c1csc2ccccc21 ZINC000035381879 357210775 /nfs/dbraw/zinc/21/07/75/357210775.db2.gz OYEXDBUCSYXSNU-ZDUSSCGKSA-N 0 3 245.372 4.011 10 0 BIAEHN N[C@@H](c1cccs1)c1csc2ccccc21 ZINC000035381881 357210789 /nfs/dbraw/zinc/21/07/89/357210789.db2.gz OYEXDBUCSYXSNU-CYBMUJFWSA-N 0 3 245.372 4.011 10 0 BIAEHN CC[C@H](C)Oc1c2ccccc2ccc1[C@@H](C)N ZINC000035427271 171356525 /nfs/dbraw/zinc/35/65/25/171356525.db2.gz UIVHVSGYNRKTKG-NWDGAFQWSA-N 0 3 243.350 4.037 10 0 BIAEHN CC[C@H](C)Oc1c2ccccc2ccc1[C@H](C)N ZINC000035427275 171356316 /nfs/dbraw/zinc/35/63/16/171356316.db2.gz UIVHVSGYNRKTKG-RYUDHWBXSA-N 0 3 243.350 4.037 10 0 BIAEHN CCN[C@H](c1ccsc1)c1ccc(C)c(C)c1 ZINC000035509206 170164934 /nfs/dbraw/zinc/16/49/34/170164934.db2.gz VSPQXDSPKXSCST-HNNXBMFYSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@@H](c1ccsc1)c1ccc(C)c(C)c1 ZINC000035509208 170150082 /nfs/dbraw/zinc/15/00/82/170150082.db2.gz VSPQXDSPKXSCST-OAHLLOKOSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@H](c1cccs1)c1ccc(C)c(C)c1 ZINC000035509246 170147570 /nfs/dbraw/zinc/14/75/70/170147570.db2.gz VMLPXBWDRRAENN-HNNXBMFYSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@@H](c1cccs1)c1ccc(C)c(C)c1 ZINC000035509248 170163157 /nfs/dbraw/zinc/16/31/57/170163157.db2.gz VMLPXBWDRRAENN-OAHLLOKOSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@H](c1ccc(C)s1)c1cccc(C)c1 ZINC000035510313 170148454 /nfs/dbraw/zinc/14/84/54/170148454.db2.gz HTCIKQIEDLGVKQ-HNNXBMFYSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@@H](c1ccc(C)s1)c1cccc(C)c1 ZINC000035510315 170164300 /nfs/dbraw/zinc/16/43/00/170164300.db2.gz HTCIKQIEDLGVKQ-OAHLLOKOSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@H](c1ccc(C)s1)c1ccccc1C ZINC000035510380 170163034 /nfs/dbraw/zinc/16/30/34/170163034.db2.gz MOFCTNMLACJNQG-HNNXBMFYSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@@H](c1ccc(C)s1)c1ccccc1C ZINC000035510382 170147084 /nfs/dbraw/zinc/14/70/84/170147084.db2.gz MOFCTNMLACJNQG-OAHLLOKOSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@H](c1ccc(C)s1)c1ccc(C)cc1 ZINC000035510416 170147080 /nfs/dbraw/zinc/14/70/80/170147080.db2.gz ROUIMMRTZMQSNR-HNNXBMFYSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@@H](c1ccc(C)s1)c1ccc(C)cc1 ZINC000035510418 170163085 /nfs/dbraw/zinc/16/30/85/170163085.db2.gz ROUIMMRTZMQSNR-OAHLLOKOSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@@H](c1ccccc1)c1cc(C)cc(C)c1 ZINC000035540581 170148140 /nfs/dbraw/zinc/14/81/40/170148140.db2.gz VUOQEXOLXINPAE-KRWDZBQOSA-N 0 3 239.362 4.002 10 0 BIAEHN CCN[C@H](c1ccccc1)c1cc(C)cc(C)c1 ZINC000035540582 170164208 /nfs/dbraw/zinc/16/42/08/170164208.db2.gz VUOQEXOLXINPAE-QGZVFWFLSA-N 0 3 239.362 4.002 10 0 BIAEHN CCN[C@@H](c1ccccc1)c1cccc(C)c1C ZINC000035540619 170148653 /nfs/dbraw/zinc/14/86/53/170148653.db2.gz BERRLYVTDGYZPX-KRWDZBQOSA-N 0 3 239.362 4.002 10 0 BIAEHN CCN[C@H](c1ccccc1)c1cccc(C)c1C ZINC000035540620 170164780 /nfs/dbraw/zinc/16/47/80/170164780.db2.gz BERRLYVTDGYZPX-QGZVFWFLSA-N 0 3 239.362 4.002 10 0 BIAEHN CCN[C@@H](c1ccc(C)cc1)c1cccc(C)c1 ZINC000035541120 170147246 /nfs/dbraw/zinc/14/72/46/170147246.db2.gz HHIKZXNVZFFSJC-KRWDZBQOSA-N 0 3 239.362 4.002 10 0 BIAEHN CCN[C@H](c1ccc(C)cc1)c1cccc(C)c1 ZINC000035541121 170163155 /nfs/dbraw/zinc/16/31/55/170163155.db2.gz HHIKZXNVZFFSJC-QGZVFWFLSA-N 0 3 239.362 4.002 10 0 BIAEHN CCN[C@@H](c1ccc(C)cc1)c1ccccc1C ZINC000035541144 170147016 /nfs/dbraw/zinc/14/70/16/170147016.db2.gz IVQALNBDICGGMD-KRWDZBQOSA-N 0 3 239.362 4.002 10 0 BIAEHN CCN[C@H](c1ccc(C)cc1)c1ccccc1C ZINC000035541145 170163051 /nfs/dbraw/zinc/16/30/51/170163051.db2.gz IVQALNBDICGGMD-QGZVFWFLSA-N 0 3 239.362 4.002 10 0 BIAEHN CCNC(c1ccc(C)cc1)c1ccc(C)cc1 ZINC000035541162 170107901 /nfs/dbraw/zinc/10/79/01/170107901.db2.gz HDBLSVITTVFPRY-UHFFFAOYSA-N 0 3 239.362 4.002 10 0 BIAEHN CCN[C@@H](c1ccsc1)c1ccc(C)cc1C ZINC000035542542 170149716 /nfs/dbraw/zinc/14/97/16/170149716.db2.gz GKKJWXKCHIVPII-HNNXBMFYSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@H](c1ccsc1)c1ccc(C)cc1C ZINC000035542544 170165317 /nfs/dbraw/zinc/16/53/17/170165317.db2.gz GKKJWXKCHIVPII-OAHLLOKOSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@H](c1cccs1)c1ccc(C)cc1C ZINC000035542579 170165018 /nfs/dbraw/zinc/16/50/18/170165018.db2.gz ORNHBEXSMMKVQC-HNNXBMFYSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@@H](c1cccs1)c1ccc(C)cc1C ZINC000035542581 170148424 /nfs/dbraw/zinc/14/84/24/170148424.db2.gz ORNHBEXSMMKVQC-OAHLLOKOSA-N 0 3 245.391 4.064 10 0 BIAEHN CCC[C@@H](C)[C@H](NCC)c1cc(F)ccc1F ZINC000035543527 169373200 /nfs/dbraw/zinc/37/32/00/169373200.db2.gz BBZZJMIWERNTSW-YGRLFVJLSA-N 0 3 241.325 4.052 10 0 BIAEHN CCC[C@@H](C)[C@@H](NCC)c1cc(F)ccc1F ZINC000035543531 169372303 /nfs/dbraw/zinc/37/23/03/169372303.db2.gz BBZZJMIWERNTSW-QMTHXVAHSA-N 0 3 241.325 4.052 10 0 BIAEHN CCN[C@@H](CCC(C)C)c1cc(F)ccc1F ZINC000035543535 170145253 /nfs/dbraw/zinc/14/52/53/170145253.db2.gz VTOQTGZBNHHYCB-AWEZNQCLSA-N 0 3 241.325 4.052 10 0 BIAEHN CCN[C@H](CCC(C)C)c1cc(F)ccc1F ZINC000035543537 170161530 /nfs/dbraw/zinc/16/15/30/170161530.db2.gz VTOQTGZBNHHYCB-CQSZACIVSA-N 0 3 241.325 4.052 10 0 BIAEHN CCN[C@@H](CC(C)(C)C)c1cc(F)ccc1F ZINC000035543656 170143036 /nfs/dbraw/zinc/14/30/36/170143036.db2.gz BOZNEVNENGLAKV-ZDUSSCGKSA-N 0 3 241.325 4.052 10 0 BIAEHN CCN[C@H](CC(C)(C)C)c1cc(F)ccc1F ZINC000035543658 170160771 /nfs/dbraw/zinc/16/07/71/170160771.db2.gz BOZNEVNENGLAKV-CYBMUJFWSA-N 0 3 241.325 4.052 10 0 BIAEHN CCN[C@H](c1cc(F)ccc1F)C(CC)CC ZINC000035543824 170163344 /nfs/dbraw/zinc/16/33/44/170163344.db2.gz NPJHDFRJEYKGKO-AWEZNQCLSA-N 0 3 241.325 4.052 10 0 BIAEHN CCN[C@@H](c1cc(F)ccc1F)C(CC)CC ZINC000035543826 170147621 /nfs/dbraw/zinc/14/76/21/170147621.db2.gz NPJHDFRJEYKGKO-CQSZACIVSA-N 0 3 241.325 4.052 10 0 BIAEHN CCN[C@@H](c1cccs1)c1cc(C)ccc1C ZINC000035545426 170148367 /nfs/dbraw/zinc/14/83/67/170148367.db2.gz SGIBAYBRKNLACL-OAHLLOKOSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@H](c1cccs1)c1cc(C)ccc1C ZINC000035545428 170164717 /nfs/dbraw/zinc/16/47/17/170164717.db2.gz SGIBAYBRKNLACL-HNNXBMFYSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@@H](c1cccs1)c1cc(C)cc(C)c1 ZINC000035545543 170163401 /nfs/dbraw/zinc/16/34/01/170163401.db2.gz NOVITLZTQMDNBD-OAHLLOKOSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@H](c1cccs1)c1cc(C)cc(C)c1 ZINC000035545545 170146701 /nfs/dbraw/zinc/14/67/01/170146701.db2.gz NOVITLZTQMDNBD-HNNXBMFYSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@H](c1cccs1)c1cccc(C)c1C ZINC000035545616 170165263 /nfs/dbraw/zinc/16/52/63/170165263.db2.gz MFNXFCCHCCSGAV-HNNXBMFYSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@@H](c1cccs1)c1cccc(C)c1C ZINC000035545617 170148493 /nfs/dbraw/zinc/14/84/93/170148493.db2.gz MFNXFCCHCCSGAV-OAHLLOKOSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@@H](c1ccsc1)c1cc(C)ccc1C ZINC000035546266 170149267 /nfs/dbraw/zinc/14/92/67/170149267.db2.gz BILMJDKLJVVWFX-HNNXBMFYSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@H](c1ccsc1)c1cc(C)ccc1C ZINC000035546268 170164713 /nfs/dbraw/zinc/16/47/13/170164713.db2.gz BILMJDKLJVVWFX-OAHLLOKOSA-N 0 3 245.391 4.064 10 0 BIAEHN CCC[C@@H](C)[C@H](NCC)c1ccc(F)cc1F ZINC000035547369 169373155 /nfs/dbraw/zinc/37/31/55/169373155.db2.gz NXNKHYKQJUFKQA-YGRLFVJLSA-N 0 3 241.325 4.052 10 0 BIAEHN CCC[C@@H](C)[C@@H](NCC)c1ccc(F)cc1F ZINC000035547372 169372526 /nfs/dbraw/zinc/37/25/26/169372526.db2.gz NXNKHYKQJUFKQA-QMTHXVAHSA-N 0 3 241.325 4.052 10 0 BIAEHN CCN[C@@H](CCC(C)C)c1ccc(F)cc1F ZINC000035547376 170145197 /nfs/dbraw/zinc/14/51/97/170145197.db2.gz OGPKGMQXIIPHNU-AWEZNQCLSA-N 0 3 241.325 4.052 10 0 BIAEHN CCN[C@H](CCC(C)C)c1ccc(F)cc1F ZINC000035547378 170161908 /nfs/dbraw/zinc/16/19/08/170161908.db2.gz OGPKGMQXIIPHNU-CQSZACIVSA-N 0 3 241.325 4.052 10 0 BIAEHN CCN[C@@H](CC(C)(C)C)c1ccc(F)cc1F ZINC000035547489 170143017 /nfs/dbraw/zinc/14/30/17/170143017.db2.gz PXAMOQYZNUDOCU-ZDUSSCGKSA-N 0 3 241.325 4.052 10 0 BIAEHN CCN[C@H](CC(C)(C)C)c1ccc(F)cc1F ZINC000035547491 170160869 /nfs/dbraw/zinc/16/08/69/170160869.db2.gz PXAMOQYZNUDOCU-CYBMUJFWSA-N 0 3 241.325 4.052 10 0 BIAEHN CCN[C@H](c1ccsc1)c1ccc(CC)cc1 ZINC000035549224 170147101 /nfs/dbraw/zinc/14/71/01/170147101.db2.gz HWMPSOFDUDIPJZ-HNNXBMFYSA-N 0 3 245.391 4.009 10 0 BIAEHN CCN[C@@H](c1ccsc1)c1ccc(CC)cc1 ZINC000035549226 170163124 /nfs/dbraw/zinc/16/31/24/170163124.db2.gz HWMPSOFDUDIPJZ-OAHLLOKOSA-N 0 3 245.391 4.009 10 0 BIAEHN CCN[C@H](c1cc(C)sc1C)c1ccccc1 ZINC000035552077 170148708 /nfs/dbraw/zinc/14/87/08/170148708.db2.gz LUSBEXDFNJIIEN-HNNXBMFYSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@@H](c1cc(C)sc1C)c1ccccc1 ZINC000035552080 170165028 /nfs/dbraw/zinc/16/50/28/170165028.db2.gz LUSBEXDFNJIIEN-OAHLLOKOSA-N 0 3 245.391 4.064 10 0 BIAEHN CCCN[C@@H](c1ccc(C)o1)c1ccc(C)s1 ZINC000035573012 169280255 /nfs/dbraw/zinc/28/02/55/169280255.db2.gz KZVPIFZZWILXBM-AWEZNQCLSA-N 0 3 249.379 4.047 10 0 BIAEHN CCCN[C@H](c1ccc(C)o1)c1ccc(C)s1 ZINC000035573013 169290151 /nfs/dbraw/zinc/29/01/51/169290151.db2.gz KZVPIFZZWILXBM-CQSZACIVSA-N 0 3 249.379 4.047 10 0 BIAEHN CCCN[C@@H](c1ccc(C)s1)c1occc1C ZINC000035573025 169281177 /nfs/dbraw/zinc/28/11/77/169281177.db2.gz MUPSMAMILMBAPQ-ZDUSSCGKSA-N 0 3 249.379 4.047 10 0 BIAEHN CCCN[C@H](c1ccc(C)s1)c1occc1C ZINC000035573026 169289897 /nfs/dbraw/zinc/28/98/97/169289897.db2.gz MUPSMAMILMBAPQ-CYBMUJFWSA-N 0 3 249.379 4.047 10 0 BIAEHN CCCN[C@H](c1ccc(C)s1)c1ccoc1C ZINC000035573033 169289758 /nfs/dbraw/zinc/28/97/58/169289758.db2.gz HXUFTYGWODLHAU-AWEZNQCLSA-N 0 3 249.379 4.047 10 0 BIAEHN CCCN[C@@H](c1ccc(C)s1)c1ccoc1C ZINC000035573034 169280327 /nfs/dbraw/zinc/28/03/27/169280327.db2.gz HXUFTYGWODLHAU-CQSZACIVSA-N 0 3 249.379 4.047 10 0 BIAEHN CCCN[C@H](c1ccoc1)c1ccc(Cl)cc1 ZINC000035575109 169280247 /nfs/dbraw/zinc/28/02/47/169280247.db2.gz QXPJNKRUYBRZQT-AWEZNQCLSA-N 0 3 249.741 4.022 10 0 BIAEHN CCCN[C@@H](c1ccoc1)c1ccc(Cl)cc1 ZINC000035575111 169289686 /nfs/dbraw/zinc/28/96/86/169289686.db2.gz QXPJNKRUYBRZQT-CQSZACIVSA-N 0 3 249.741 4.022 10 0 BIAEHN CCCN[C@H](c1ccsc1)c1ccc(C)cc1 ZINC000035576775 169279358 /nfs/dbraw/zinc/27/93/58/169279358.db2.gz NVTGQYRZUAGECG-HNNXBMFYSA-N 0 3 245.391 4.146 10 0 BIAEHN CCCN[C@@H](c1ccsc1)c1ccc(C)cc1 ZINC000035576778 169289703 /nfs/dbraw/zinc/28/97/03/169289703.db2.gz NVTGQYRZUAGECG-OAHLLOKOSA-N 0 3 245.391 4.146 10 0 BIAEHN CCCN[C@H](c1cccs1)c1ccc(C)cc1 ZINC000035576836 169278954 /nfs/dbraw/zinc/27/89/54/169278954.db2.gz VTKISUUDDMHFPO-HNNXBMFYSA-N 0 3 245.391 4.146 10 0 BIAEHN CCCN[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000035576839 169289976 /nfs/dbraw/zinc/28/99/76/169289976.db2.gz VTKISUUDDMHFPO-OAHLLOKOSA-N 0 3 245.391 4.146 10 0 BIAEHN CCCN[C@@H](CC(C)C)c1cc(F)ccc1F ZINC000035580280 169276549 /nfs/dbraw/zinc/27/65/49/169276549.db2.gz LRGPHFCWKHNXFE-AWEZNQCLSA-N 0 3 241.325 4.052 10 0 BIAEHN CCCN[C@H](CC(C)C)c1cc(F)ccc1F ZINC000035580282 169288442 /nfs/dbraw/zinc/28/84/42/169288442.db2.gz LRGPHFCWKHNXFE-CQSZACIVSA-N 0 3 241.325 4.052 10 0 BIAEHN CCCN[C@@H](c1cccs1)c1cc(C)oc1C ZINC000035581088 169280270 /nfs/dbraw/zinc/28/02/70/169280270.db2.gz ZTKASAOVXNQSRG-CQSZACIVSA-N 0 3 249.379 4.047 10 0 BIAEHN CCCN[C@H](c1cccs1)c1cc(C)oc1C ZINC000035581089 169290797 /nfs/dbraw/zinc/29/07/97/169290797.db2.gz ZTKASAOVXNQSRG-AWEZNQCLSA-N 0 3 249.379 4.047 10 0 BIAEHN CCCN[C@H](c1cccs1)c1cccc(C)c1 ZINC000035581285 169280635 /nfs/dbraw/zinc/28/06/35/169280635.db2.gz RFFASRYAUFSTHE-HNNXBMFYSA-N 0 3 245.391 4.146 10 0 BIAEHN CCCN[C@@H](c1cccs1)c1cccc(C)c1 ZINC000035581286 169291114 /nfs/dbraw/zinc/29/11/14/169291114.db2.gz RFFASRYAUFSTHE-OAHLLOKOSA-N 0 3 245.391 4.146 10 0 BIAEHN CCCN[C@@H](c1ccco1)c1cc(C)sc1C ZINC000035583221 169280492 /nfs/dbraw/zinc/28/04/92/169280492.db2.gz QGHPFAJSDHYWBQ-CQSZACIVSA-N 0 3 249.379 4.047 10 0 BIAEHN CCCN[C@H](c1ccco1)c1cc(C)sc1C ZINC000035583222 169290974 /nfs/dbraw/zinc/29/09/74/169290974.db2.gz QGHPFAJSDHYWBQ-AWEZNQCLSA-N 0 3 249.379 4.047 10 0 BIAEHN CCCN[C@@H](c1ccoc1)c1cc(C)sc1C ZINC000035583223 169280169 /nfs/dbraw/zinc/28/01/69/169280169.db2.gz BGFXXNSLMLGPPS-AWEZNQCLSA-N 0 3 249.379 4.047 10 0 BIAEHN CCCN[C@H](c1ccoc1)c1cc(C)sc1C ZINC000035583224 169290398 /nfs/dbraw/zinc/29/03/98/169290398.db2.gz BGFXXNSLMLGPPS-CQSZACIVSA-N 0 3 249.379 4.047 10 0 BIAEHN Cc1cc(N[C@H](C)CC(C)C)c2ccccc2n1 ZINC000035697603 178183800 /nfs/dbraw/zinc/18/38/00/178183800.db2.gz TXGGKBVTRDQJBT-GFCCVEGCSA-N 0 3 242.366 4.390 10 0 BIAEHN CC(C)c1ccc2c(c1)[C@H](NC1CC1)CCS2 ZINC000035762339 167625013 /nfs/dbraw/zinc/62/50/13/167625013.db2.gz NWGLPCOPZABCJS-CQSZACIVSA-N 0 3 247.407 4.099 10 0 BIAEHN Cc1cccc([C@H](N)c2ccc(C(C)C)cc2)c1 ZINC000036819629 179200775 /nfs/dbraw/zinc/20/07/75/179200775.db2.gz NQGSYMKUPWNZHY-QGZVFWFLSA-N 0 3 239.362 4.167 10 0 BIAEHN Cc1cccc([C@@H](N)c2ccc(C(C)C)cc2)c1 ZINC000036819630 179186951 /nfs/dbraw/zinc/18/69/51/179186951.db2.gz NQGSYMKUPWNZHY-KRWDZBQOSA-N 0 3 239.362 4.167 10 0 BIAEHN Cc1cc([C@H](N)c2ccc(C(C)C)cc2)c(C)o1 ZINC000036819754 178261952 /nfs/dbraw/zinc/26/19/52/178261952.db2.gz POMBIVQVJVTJEF-MRXNPFEDSA-N 0 3 243.350 4.068 10 0 BIAEHN Cc1cc([C@@H](N)c2ccc(C(C)C)cc2)c(C)o1 ZINC000036819755 178236951 /nfs/dbraw/zinc/23/69/51/178236951.db2.gz POMBIVQVJVTJEF-INIZCTEOSA-N 0 3 243.350 4.068 10 0 BIAEHN CCC[C@@H](N)c1ccc(-c2cccc(F)c2)s1 ZINC000036927637 169394152 /nfs/dbraw/zinc/39/41/52/169394152.db2.gz YVEHJBUMTRISMB-GFCCVEGCSA-N 0 3 249.354 4.354 10 0 BIAEHN CC(C)(C)c1ccc(-c2ccc(CN)s2)cc1 ZINC000036927645 187258609 /nfs/dbraw/zinc/25/86/09/187258609.db2.gz CQRIPFHMBJOUSB-UHFFFAOYSA-N 0 3 245.391 4.171 10 0 BIAEHN CC(C)[C@H](N)c1ccc(-c2ccccc2F)s1 ZINC000036927651 187258778 /nfs/dbraw/zinc/25/87/78/187258778.db2.gz CEHDUQKYOVMTST-AWEZNQCLSA-N 0 3 249.354 4.210 10 0 BIAEHN CCC[C@@H](N)c1ccc(-c2ccccc2F)s1 ZINC000036927654 169393632 /nfs/dbraw/zinc/39/36/32/169393632.db2.gz QGJYFSGZCZMOEM-GFCCVEGCSA-N 0 3 249.354 4.354 10 0 BIAEHN CC(C)(C)[C@H](N)c1cc(Cl)ccc1Cl ZINC000036961870 347982472 /nfs/dbraw/zinc/98/24/72/347982472.db2.gz DXUAUBXWBDYCKH-SNVBAGLBSA-N 0 3 232.154 4.039 10 0 BIAEHN CC(C)(C)[C@@H](N)c1cc(Cl)ccc1Cl ZINC000036961871 347982193 /nfs/dbraw/zinc/98/21/93/347982193.db2.gz DXUAUBXWBDYCKH-JTQLQIEISA-N 0 3 232.154 4.039 10 0 BIAEHN CCCCc1ccc(-c2ccc(CN)s2)cc1 ZINC000036984556 169019310 /nfs/dbraw/zinc/01/93/10/169019310.db2.gz FYFLRMORALRVKE-UHFFFAOYSA-N 0 3 245.391 4.216 10 0 BIAEHN CC(C)C[C@@H](C)N[C@@H](C)c1cc(F)ccc1F ZINC000037118055 538961586 /nfs/dbraw/zinc/96/15/86/538961586.db2.gz VBYHAZHQAKSSML-MNOVXSKESA-N 0 3 241.325 4.050 10 0 BIAEHN CC(C)C[C@H](C)N[C@@H](C)c1cc(F)ccc1F ZINC000037118056 538961692 /nfs/dbraw/zinc/96/16/92/538961692.db2.gz VBYHAZHQAKSSML-QWRGUYRKSA-N 0 3 241.325 4.050 10 0 BIAEHN CC(C)C[C@@H](C)N[C@H](C)c1cc(F)ccc1F ZINC000037118057 538961802 /nfs/dbraw/zinc/96/18/02/538961802.db2.gz VBYHAZHQAKSSML-GHMZBOCLSA-N 0 3 241.325 4.050 10 0 BIAEHN CC(C)C[C@H](C)N[C@H](C)c1cc(F)ccc1F ZINC000037118058 538961660 /nfs/dbraw/zinc/96/16/60/538961660.db2.gz VBYHAZHQAKSSML-WDEREUQCSA-N 0 3 241.325 4.050 10 0 BIAEHN Cc1cccc([C@@H](C)N[C@@H](C)c2cccs2)c1 ZINC000037235225 179182522 /nfs/dbraw/zinc/18/25/22/179182522.db2.gz PVCFUAPIMLKSLW-OLZOCXBDSA-N 0 3 245.391 4.468 10 0 BIAEHN Cc1cccc([C@H](C)N[C@@H](C)c2cccs2)c1 ZINC000037235228 179195961 /nfs/dbraw/zinc/19/59/61/179195961.db2.gz PVCFUAPIMLKSLW-STQMWFEESA-N 0 3 245.391 4.468 10 0 BIAEHN Cc1cccc([C@@H](C)N[C@H](C)c2cccs2)c1 ZINC000037235230 179181515 /nfs/dbraw/zinc/18/15/15/179181515.db2.gz PVCFUAPIMLKSLW-CHWSQXEVSA-N 0 3 245.391 4.468 10 0 BIAEHN Cc1cccc([C@H](C)N[C@H](C)c2cccs2)c1 ZINC000037235232 179197811 /nfs/dbraw/zinc/19/78/11/179197811.db2.gz PVCFUAPIMLKSLW-QWHCGFSZSA-N 0 3 245.391 4.468 10 0 BIAEHN CC(C)[C@@H](C)N[C@@H](C)c1ccc(F)cc1Cl ZINC000037249786 566459239 /nfs/dbraw/zinc/45/92/39/566459239.db2.gz JTYPHPSXBAEUCF-ZJUUUORDSA-N 0 3 243.753 4.174 10 0 BIAEHN CC(C)[C@H](C)N[C@@H](C)c1ccc(F)cc1Cl ZINC000037249788 566459343 /nfs/dbraw/zinc/45/93/43/566459343.db2.gz JTYPHPSXBAEUCF-UWVGGRQHSA-N 0 3 243.753 4.174 10 0 BIAEHN CC(C)[C@@H](C)N[C@H](C)c1ccc(F)cc1Cl ZINC000037249790 388612946 /nfs/dbraw/zinc/61/29/46/388612946.db2.gz JTYPHPSXBAEUCF-NXEZZACHSA-N 0 3 243.753 4.174 10 0 BIAEHN CC(C)[C@H](C)N[C@H](C)c1ccc(F)cc1Cl ZINC000037249792 324483528 /nfs/dbraw/zinc/48/35/28/324483528.db2.gz JTYPHPSXBAEUCF-VHSXEESVSA-N 0 3 243.753 4.174 10 0 BIAEHN CC(C)(C)[C@H](N)c1cc(Cl)sc1Cl ZINC000037379239 348387933 /nfs/dbraw/zinc/38/79/33/348387933.db2.gz WMBRNWPLNNYYAG-SSDOTTSWSA-N 0 3 238.183 4.101 10 0 BIAEHN CC(C)(C)[C@@H](N)c1cc(Cl)sc1Cl ZINC000037379242 348387871 /nfs/dbraw/zinc/38/78/71/348387871.db2.gz WMBRNWPLNNYYAG-ZETCQYMHSA-N 0 3 238.183 4.101 10 0 BIAEHN CCCN[C@H](c1ccsc1)c1cccc(C)c1 ZINC000037534735 169290804 /nfs/dbraw/zinc/29/08/04/169290804.db2.gz OKZWGIBXWGTLPD-HNNXBMFYSA-N 0 3 245.391 4.146 10 0 BIAEHN CCCN[C@@H](c1ccsc1)c1cccc(C)c1 ZINC000037534736 169281185 /nfs/dbraw/zinc/28/11/85/169281185.db2.gz OKZWGIBXWGTLPD-OAHLLOKOSA-N 0 3 245.391 4.146 10 0 BIAEHN CCCN[C@@H](c1ccsc1)c1ccccc1C ZINC000037534745 169280399 /nfs/dbraw/zinc/28/03/99/169280399.db2.gz RKRCTCCCCXPZPU-HNNXBMFYSA-N 0 3 245.391 4.146 10 0 BIAEHN CCCN[C@H](c1ccsc1)c1ccccc1C ZINC000037534746 169290563 /nfs/dbraw/zinc/29/05/63/169290563.db2.gz RKRCTCCCCXPZPU-OAHLLOKOSA-N 0 3 245.391 4.146 10 0 BIAEHN CCN[C@@H](c1cccc(C)c1)c1ccccc1C ZINC000037535675 170148379 /nfs/dbraw/zinc/14/83/79/170148379.db2.gz MBTARPWRCQYKLN-KRWDZBQOSA-N 0 3 239.362 4.002 10 0 BIAEHN CCN[C@H](c1cccc(C)c1)c1ccccc1C ZINC000037535676 170164122 /nfs/dbraw/zinc/16/41/22/170164122.db2.gz MBTARPWRCQYKLN-QGZVFWFLSA-N 0 3 239.362 4.002 10 0 BIAEHN CCN[C@@H](c1ccsc1)c1cc(C)cc(C)c1 ZINC000037746188 170149679 /nfs/dbraw/zinc/14/96/79/170149679.db2.gz YQEWARPZRCVXEN-HNNXBMFYSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@H](c1ccsc1)c1cc(C)cc(C)c1 ZINC000037746189 170164967 /nfs/dbraw/zinc/16/49/67/170164967.db2.gz YQEWARPZRCVXEN-OAHLLOKOSA-N 0 3 245.391 4.064 10 0 BIAEHN CCC[C@@H](C)CN[C@@H](C)c1c(F)cccc1F ZINC000037771982 169360217 /nfs/dbraw/zinc/36/02/17/169360217.db2.gz WGMMKJQJMFLDGY-MNOVXSKESA-N 0 3 241.325 4.052 10 0 BIAEHN CCC[C@@H](C)CN[C@H](C)c1c(F)cccc1F ZINC000037771984 169361159 /nfs/dbraw/zinc/36/11/59/169361159.db2.gz WGMMKJQJMFLDGY-GHMZBOCLSA-N 0 3 241.325 4.052 10 0 BIAEHN CC(C)NCc1sc2ccccc2c1Cl ZINC000037977114 167123168 /nfs/dbraw/zinc/12/31/68/167123168.db2.gz PGGVBCQSNFGVSQ-UHFFFAOYSA-N 0 3 239.771 4.053 10 0 BIAEHN CC(C)CCCN[C@@H](C)c1ccc(F)cc1F ZINC000038093400 388652977 /nfs/dbraw/zinc/65/29/77/388652977.db2.gz PWKJSFUESUAOPY-NSHDSACASA-N 0 3 241.325 4.052 10 0 BIAEHN CC(C)CCCN[C@H](C)c1ccc(F)cc1F ZINC000038093401 388652857 /nfs/dbraw/zinc/65/28/57/388652857.db2.gz PWKJSFUESUAOPY-LLVKDONJSA-N 0 3 241.325 4.052 10 0 BIAEHN CC(C)CCCN[C@@H](C)c1cc(F)ccc1F ZINC000038093411 386121216 /nfs/dbraw/zinc/12/12/16/386121216.db2.gz YKYAUDDTKVHTDN-NSHDSACASA-N 0 3 241.325 4.052 10 0 BIAEHN CC(C)CCCN[C@H](C)c1cc(F)ccc1F ZINC000038093412 386120165 /nfs/dbraw/zinc/12/01/65/386120165.db2.gz YKYAUDDTKVHTDN-LLVKDONJSA-N 0 3 241.325 4.052 10 0 BIAEHN CCCNCc1ccc(-c2cccs2)cc1F ZINC000040222501 169267087 /nfs/dbraw/zinc/26/70/87/169267087.db2.gz RVOKBHHAIGDBKN-UHFFFAOYSA-N 0 3 249.354 4.054 10 0 BIAEHN CC(C)NCc1ccc(-c2cccs2)cc1F ZINC000040222504 167118278 /nfs/dbraw/zinc/11/82/78/167118278.db2.gz JKZSTNAAMKTOHY-UHFFFAOYSA-N 0 3 249.354 4.052 10 0 BIAEHN CC(C)Cc1ccc(-c2ccc(CN)s2)cc1 ZINC000041296551 187265171 /nfs/dbraw/zinc/26/51/71/187265171.db2.gz BTUKWJGSRKAXCJ-UHFFFAOYSA-N 0 3 245.391 4.072 10 0 BIAEHN Cc1cccc([C@H](N)c2cccc(Cl)c2C)c1 ZINC000041653937 179201201 /nfs/dbraw/zinc/20/12/01/179201201.db2.gz NDCHKMOTIBSTSV-HNNXBMFYSA-N 0 3 245.753 4.005 10 0 BIAEHN Cc1cccc([C@@H](N)c2cccc(Cl)c2C)c1 ZINC000041653943 179187095 /nfs/dbraw/zinc/18/70/95/179187095.db2.gz NDCHKMOTIBSTSV-OAHLLOKOSA-N 0 3 245.753 4.005 10 0 BIAEHN Cc1cccc([C@H](N)c2cc(Cl)ccc2C)c1 ZINC000041653948 179201227 /nfs/dbraw/zinc/20/12/27/179201227.db2.gz ZQCYKWGVOLFDBP-HNNXBMFYSA-N 0 3 245.753 4.005 10 0 BIAEHN Cc1cccc([C@@H](N)c2cc(Cl)ccc2C)c1 ZINC000041653954 179186426 /nfs/dbraw/zinc/18/64/26/179186426.db2.gz ZQCYKWGVOLFDBP-OAHLLOKOSA-N 0 3 245.753 4.005 10 0 BIAEHN CC[C@H](C)[C@@H](C)Nc1ccnc2ccccc21 ZINC000042556999 171367634 /nfs/dbraw/zinc/36/76/34/171367634.db2.gz YWOUAWXHPSDFPM-NWDGAFQWSA-N 0 3 228.339 4.081 10 0 BIAEHN CC[C@H](C)[C@H](C)Nc1ccnc2ccccc21 ZINC000042557007 171391149 /nfs/dbraw/zinc/39/11/49/171391149.db2.gz YWOUAWXHPSDFPM-RYUDHWBXSA-N 0 3 228.339 4.081 10 0 BIAEHN CC[C@H](Nc1ccnc2ccccc21)C(C)C ZINC000042590825 343000274 /nfs/dbraw/zinc/00/02/74/343000274.db2.gz QVBHPDBZCOAXPG-ZDUSSCGKSA-N 0 3 228.339 4.081 10 0 BIAEHN CC[C@@H](Nc1ccnc2ccccc21)C(C)C ZINC000042590827 343000148 /nfs/dbraw/zinc/00/01/48/343000148.db2.gz QVBHPDBZCOAXPG-CYBMUJFWSA-N 0 3 228.339 4.081 10 0 BIAEHN CCN[C@H](c1sccc1C)c1cccc(C)c1 ZINC000042729944 170148284 /nfs/dbraw/zinc/14/82/84/170148284.db2.gz YTAFPCCFHUQLPY-AWEZNQCLSA-N 0 3 245.391 4.064 10 0 BIAEHN CCN[C@@H](c1sccc1C)c1cccc(C)c1 ZINC000042729947 170163960 /nfs/dbraw/zinc/16/39/60/170163960.db2.gz YTAFPCCFHUQLPY-CQSZACIVSA-N 0 3 245.391 4.064 10 0 BIAEHN CCCN[C@@H](c1ccoc1C)c1sccc1C ZINC000042730114 169280913 /nfs/dbraw/zinc/28/09/13/169280913.db2.gz IMYSHIYYHYUTHH-ZDUSSCGKSA-N 0 3 249.379 4.047 10 0 BIAEHN CCCN[C@H](c1ccoc1C)c1sccc1C ZINC000042730116 169290686 /nfs/dbraw/zinc/29/06/86/169290686.db2.gz IMYSHIYYHYUTHH-CYBMUJFWSA-N 0 3 249.379 4.047 10 0 BIAEHN CCCN[C@@H](c1occc1C)c1sccc1C ZINC000042730129 169280844 /nfs/dbraw/zinc/28/08/44/169280844.db2.gz LMUONTKEHZTTDD-LBPRGKRZSA-N 0 3 249.379 4.047 10 0 BIAEHN CCCN[C@H](c1occc1C)c1sccc1C ZINC000042730132 169290602 /nfs/dbraw/zinc/29/06/02/169290602.db2.gz LMUONTKEHZTTDD-GFCCVEGCSA-N 0 3 249.379 4.047 10 0 BIAEHN Cc1cccc(CN[C@@H](C)c2cccs2)c1C ZINC000048298314 179097851 /nfs/dbraw/zinc/09/78/51/179097851.db2.gz TXSACBRWEMKJLU-ZDUSSCGKSA-N 0 3 245.391 4.216 10 0 BIAEHN Cc1cccc(CN[C@H](C)c2cccs2)c1C ZINC000048298316 179099550 /nfs/dbraw/zinc/09/95/50/179099550.db2.gz TXSACBRWEMKJLU-CYBMUJFWSA-N 0 3 245.391 4.216 10 0 BIAEHN CCN[C@@H](C)c1ccccc1OCCC(C)(C)C ZINC000049254106 170141828 /nfs/dbraw/zinc/14/18/28/170141828.db2.gz RZRWRNABVDQJJQ-ZDUSSCGKSA-N 0 3 249.398 4.172 10 0 BIAEHN CCN[C@H](C)c1ccccc1OCCC(C)(C)C ZINC000049254109 170160447 /nfs/dbraw/zinc/16/04/47/170160447.db2.gz RZRWRNABVDQJJQ-CYBMUJFWSA-N 0 3 249.398 4.172 10 0 BIAEHN CCN[C@@H](c1ccc(C)c(F)c1)C1=CCCCC1 ZINC000050326639 170160969 /nfs/dbraw/zinc/16/09/69/170160969.db2.gz ORTWNIBHJIXAEQ-MRXNPFEDSA-N 0 3 247.357 4.285 10 0 BIAEHN CCN[C@H](c1ccc(C)c(F)c1)C1=CCCCC1 ZINC000050326641 170143004 /nfs/dbraw/zinc/14/30/04/170143004.db2.gz ORTWNIBHJIXAEQ-INIZCTEOSA-N 0 3 247.357 4.285 10 0 BIAEHN CCCN[C@@H](c1cccc(F)c1)C1=CCCCC1 ZINC000050326849 169288548 /nfs/dbraw/zinc/28/85/48/169288548.db2.gz OGXBJYMQODTIHK-MRXNPFEDSA-N 0 3 247.357 4.367 10 0 BIAEHN CCCN[C@H](c1cccc(F)c1)C1=CCCCC1 ZINC000050326850 169277203 /nfs/dbraw/zinc/27/72/03/169277203.db2.gz OGXBJYMQODTIHK-INIZCTEOSA-N 0 3 247.357 4.367 10 0 BIAEHN CCN[C@@H](c1cccc(F)c1)C1=CCCCCC1 ZINC000050328642 170161002 /nfs/dbraw/zinc/16/10/02/170161002.db2.gz AUEQKPPFJRVKRU-MRXNPFEDSA-N 0 3 247.357 4.367 10 0 BIAEHN CCN[C@H](c1cccc(F)c1)C1=CCCCCC1 ZINC000050328643 170142905 /nfs/dbraw/zinc/14/29/05/170142905.db2.gz AUEQKPPFJRVKRU-INIZCTEOSA-N 0 3 247.357 4.367 10 0 BIAEHN Cc1cc(F)ccc1CN[C@@H](C)c1cccs1 ZINC000050569231 357711773 /nfs/dbraw/zinc/71/17/73/357711773.db2.gz GBRMFUCAWNAKEZ-NSHDSACASA-N 0 3 249.354 4.046 10 0 BIAEHN Cc1cc(F)ccc1CN[C@H](C)c1cccs1 ZINC000050569232 357711940 /nfs/dbraw/zinc/71/19/40/357711940.db2.gz GBRMFUCAWNAKEZ-LLVKDONJSA-N 0 3 249.354 4.046 10 0 BIAEHN CCCNc1ccnc2c1cccc2C(C)C ZINC000050844014 169295953 /nfs/dbraw/zinc/29/59/53/169295953.db2.gz HWHJVKATDHSFPK-UHFFFAOYSA-N 0 3 228.339 4.180 10 0 BIAEHN C[C@H](N[C@H]1C[C@H]1C)c1cc(Cl)ccc1Cl ZINC000052270245 384712566 /nfs/dbraw/zinc/71/25/66/384712566.db2.gz SPQUICLPKUBMHE-LWINAJNOSA-N 0 3 244.165 4.052 10 0 BIAEHN C[C@H](N[C@H]1C[C@@H]1C)c1cc(Cl)ccc1Cl ZINC000052270247 384713739 /nfs/dbraw/zinc/71/37/39/384713739.db2.gz SPQUICLPKUBMHE-UBJUHAIHSA-N 0 3 244.165 4.052 10 0 BIAEHN C[C@H](N[C@@H]1C[C@H]1C)c1cc(Cl)ccc1Cl ZINC000052270249 322852886 /nfs/dbraw/zinc/85/28/86/322852886.db2.gz SPQUICLPKUBMHE-RGNHYFCHSA-N 0 3 244.165 4.052 10 0 BIAEHN C[C@H](N[C@@H]1C[C@@H]1C)c1cc(Cl)ccc1Cl ZINC000052270252 322852732 /nfs/dbraw/zinc/85/27/32/322852732.db2.gz SPQUICLPKUBMHE-YVZVNANGSA-N 0 3 244.165 4.052 10 0 BIAEHN CCc1c2ccccc2oc1[C@H](C)N[C@@H]1C[C@@H]1C ZINC000052270366 384713324 /nfs/dbraw/zinc/71/33/24/384713324.db2.gz LUUUMNXALLWQOJ-COPLHBTASA-N 0 3 243.350 4.054 10 0 BIAEHN CCc1c2ccccc2oc1[C@H](C)N[C@H]1C[C@@H]1C ZINC000052270372 171744963 /nfs/dbraw/zinc/74/49/63/171744963.db2.gz LUUUMNXALLWQOJ-MJVIPROJSA-N 0 3 243.350 4.054 10 0 BIAEHN C[C@H](N[C@H]1C[C@H]1C)c1ccc(Cl)cc1Cl ZINC000052271174 384713055 /nfs/dbraw/zinc/71/30/55/384713055.db2.gz QODZTECKWSGUIT-LWINAJNOSA-N 0 3 244.165 4.052 10 0 BIAEHN C[C@H](N[C@H]1C[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000052271177 322853030 /nfs/dbraw/zinc/85/30/30/322853030.db2.gz QODZTECKWSGUIT-UBJUHAIHSA-N 0 3 244.165 4.052 10 0 BIAEHN C[C@H](N[C@@H]1C[C@H]1C)c1ccc(Cl)cc1Cl ZINC000052271180 384713361 /nfs/dbraw/zinc/71/33/61/384713361.db2.gz QODZTECKWSGUIT-RGNHYFCHSA-N 0 3 244.165 4.052 10 0 BIAEHN C[C@H](N[C@@H]1C[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000052271183 322852995 /nfs/dbraw/zinc/85/29/95/322852995.db2.gz QODZTECKWSGUIT-YVZVNANGSA-N 0 3 244.165 4.052 10 0 BIAEHN CCCN[C@H](C)c1ccc(-c2ccccc2F)o1 ZINC000052924186 169287039 /nfs/dbraw/zinc/28/70/39/169287039.db2.gz JRAUVGAOWDUATK-LLVKDONJSA-N 0 3 247.313 4.146 10 0 BIAEHN CCN[C@H](C)c1ccc(-c2ccc(CC)cc2)o1 ZINC000052924201 170159271 /nfs/dbraw/zinc/15/92/71/170159271.db2.gz XILDEDJFBMGUIO-GFCCVEGCSA-N 0 3 243.350 4.180 10 0 BIAEHN CCN[C@@H](C)c1ccc(-c2ccc(CC)cc2)o1 ZINC000052924202 170141424 /nfs/dbraw/zinc/14/14/24/170141424.db2.gz XILDEDJFBMGUIO-LBPRGKRZSA-N 0 3 243.350 4.180 10 0 BIAEHN CCN[C@@H](C)c1ccc(-c2ccc(C)cc2C)o1 ZINC000052924271 170140821 /nfs/dbraw/zinc/14/08/21/170140821.db2.gz YIHNBXVRRXVPMU-ZDUSSCGKSA-N 0 3 243.350 4.234 10 0 BIAEHN CCN[C@H](C)c1ccc(-c2ccc(C)cc2C)o1 ZINC000052924272 170159193 /nfs/dbraw/zinc/15/91/93/170159193.db2.gz YIHNBXVRRXVPMU-CYBMUJFWSA-N 0 3 243.350 4.234 10 0 BIAEHN CCN[C@@H](C)c1ccc(-c2cc(C)ccc2C)o1 ZINC000052924289 170141319 /nfs/dbraw/zinc/14/13/19/170141319.db2.gz QUQALPPTIHULSM-ZDUSSCGKSA-N 0 3 243.350 4.234 10 0 BIAEHN CCN[C@H](C)c1ccc(-c2cc(C)ccc2C)o1 ZINC000052924290 170158905 /nfs/dbraw/zinc/15/89/05/170158905.db2.gz QUQALPPTIHULSM-CYBMUJFWSA-N 0 3 243.350 4.234 10 0 BIAEHN CC[C@@H](NC)c1ccc(-c2ccc(F)cc2C)o1 ZINC000054107063 170889118 /nfs/dbraw/zinc/88/91/18/170889118.db2.gz DIECGFVUAHHCTP-CYBMUJFWSA-N 0 3 247.313 4.065 10 0 BIAEHN CCN[C@@H](CCC(C)C)c1cc(C)ccc1F ZINC000055226394 170145573 /nfs/dbraw/zinc/14/55/73/170145573.db2.gz PARCPEFMRWKAGI-HNNXBMFYSA-N 0 3 237.362 4.221 10 0 BIAEHN CCN[C@H](CCC(C)C)c1cc(C)ccc1F ZINC000055226397 170161680 /nfs/dbraw/zinc/16/16/80/170161680.db2.gz PARCPEFMRWKAGI-OAHLLOKOSA-N 0 3 237.362 4.221 10 0 BIAEHN CCNc1c2ccccc2nc(C)c1C(C)C ZINC000061687697 170170580 /nfs/dbraw/zinc/17/05/80/170170580.db2.gz OXEWJJHHACSTBM-UHFFFAOYSA-N 0 3 228.339 4.098 10 0 BIAEHN Cc1nc2c(cccc2C(C)C)c(N)c1C(C)C ZINC000061687760 180061617 /nfs/dbraw/zinc/06/16/17/180061617.db2.gz YSPXPDCAHWSGIU-UHFFFAOYSA-N 0 3 242.366 4.372 10 0 BIAEHN CCN[C@@H](C[C@H](C)CC)c1ccc(F)cc1F ZINC000062774495 170146035 /nfs/dbraw/zinc/14/60/35/170146035.db2.gz XXDJIJMZVUNZNJ-YGRLFVJLSA-N 0 3 241.325 4.052 10 0 BIAEHN CCN[C@@H](C[C@@H](C)CC)c1ccc(F)cc1F ZINC000062774496 170146045 /nfs/dbraw/zinc/14/60/45/170146045.db2.gz XXDJIJMZVUNZNJ-HZMBPMFUSA-N 0 3 241.325 4.052 10 0 BIAEHN CCN[C@H](C[C@H](C)CC)c1ccc(F)cc1F ZINC000062774497 170162472 /nfs/dbraw/zinc/16/24/72/170162472.db2.gz XXDJIJMZVUNZNJ-QMTHXVAHSA-N 0 3 241.325 4.052 10 0 BIAEHN CCN[C@H](C[C@@H](C)CC)c1ccc(F)cc1F ZINC000062774498 170162305 /nfs/dbraw/zinc/16/23/05/170162305.db2.gz XXDJIJMZVUNZNJ-IINYFYTJSA-N 0 3 241.325 4.052 10 0 BIAEHN CCOc1ccccc1NC(=N)C1CCCCC1 ZINC000062988471 188304236 /nfs/dbraw/zinc/30/42/36/188304236.db2.gz XHPGYMULINXHGQ-UHFFFAOYSA-N 0 3 246.354 4.055 10 0 BIAEHN CCCc1ccccc1NC(=N)c1ccccc1 ZINC000062993172 169578685 /nfs/dbraw/zinc/57/86/85/169578685.db2.gz DIZWXVANGRGYQB-UHFFFAOYSA-N 0 3 238.334 4.077 10 0 BIAEHN Cc1ccc([C@H](N)c2ccc(C)c(Cl)c2)cc1 ZINC000063021265 178908203 /nfs/dbraw/zinc/90/82/03/178908203.db2.gz PZINHPHTINZTSS-HNNXBMFYSA-N 0 3 245.753 4.005 10 0 BIAEHN CCCN[C@@H](C)c1csc(C(CC)CC)n1 ZINC000070842380 169277448 /nfs/dbraw/zinc/27/74/48/169277448.db2.gz KISDPJFRPAPVDL-JTQLQIEISA-N 0 3 240.416 4.107 10 0 BIAEHN CCCN[C@H](C)c1csc(C(CC)CC)n1 ZINC000070842386 169288577 /nfs/dbraw/zinc/28/85/77/169288577.db2.gz KISDPJFRPAPVDL-SNVBAGLBSA-N 0 3 240.416 4.107 10 0 BIAEHN Cc1cccc2c1oc(CNC1CC1)c2C(C)C ZINC000077068655 179209357 /nfs/dbraw/zinc/20/93/57/179209357.db2.gz MGSANBDBZDWFCO-UHFFFAOYSA-N 0 3 243.350 4.117 10 0 BIAEHN CCNCc1oc2c(cccc2C)c1C(C)(C)C ZINC000077068709 170131929 /nfs/dbraw/zinc/13/19/29/170131929.db2.gz YSYWGERCKHYWIE-UHFFFAOYSA-N 0 3 245.366 4.148 10 0 BIAEHN CCNCc1oc2c(cccc2Cl)c1C1CC1 ZINC000077069043 170132025 /nfs/dbraw/zinc/13/20/25/170132025.db2.gz GPIAHKWYEZZYCY-UHFFFAOYSA-N 0 3 249.741 4.073 10 0 BIAEHN CCNCc1oc2ccc(C)cc2c1C(C)(C)C ZINC000077069593 170131292 /nfs/dbraw/zinc/13/12/92/170131292.db2.gz FBXKNBKSXKNCBS-UHFFFAOYSA-N 0 3 245.366 4.148 10 0 BIAEHN CCNCc1oc2ccc(Cl)cc2c1C1CC1 ZINC000077069849 170131303 /nfs/dbraw/zinc/13/13/03/170131303.db2.gz RXEIUJUPZIDCEL-UHFFFAOYSA-N 0 3 249.741 4.073 10 0 BIAEHN CCNCc1oc2ccc(CC)cc2c1C(C)C ZINC000077070549 170132003 /nfs/dbraw/zinc/13/20/03/170132003.db2.gz NNKXFJWOJNMUFW-UHFFFAOYSA-N 0 3 245.366 4.228 10 0 BIAEHN CNCc1oc2c(cc(C)cc2C)c1C(C)(C)C ZINC000077071035 173399906 /nfs/dbraw/zinc/39/99/06/173399906.db2.gz WMVVFXVXLMHXSK-UHFFFAOYSA-N 0 3 245.366 4.067 10 0 BIAEHN CCNCc1oc2cc(C)cc(C)c2c1C(C)C ZINC000077071273 170131678 /nfs/dbraw/zinc/13/16/78/170131678.db2.gz DUPMFKFLOZBHTJ-UHFFFAOYSA-N 0 3 245.366 4.283 10 0 BIAEHN CCNCc1oc2cc(C)cc(C)c2c1C1CC1 ZINC000077071363 170131768 /nfs/dbraw/zinc/13/17/68/170131768.db2.gz PPELAYUPYVNPPU-UHFFFAOYSA-N 0 3 243.350 4.037 10 0 BIAEHN CNCc1oc2cc(C)cc(C)c2c1C(C)(C)C ZINC000077071409 173399465 /nfs/dbraw/zinc/39/94/65/173399465.db2.gz HEJPCZAIELKDQW-UHFFFAOYSA-N 0 3 245.366 4.067 10 0 BIAEHN CCNCc1oc2c(ccc3ccccc23)c1C ZINC000077072075 170131320 /nfs/dbraw/zinc/13/13/20/170131320.db2.gz LQRWPIZWBYSFOE-UHFFFAOYSA-N 0 3 239.318 4.004 10 0 BIAEHN c1ccc(CC2=NCCC[C@@H]2c2ccccc2)cc1 ZINC000078684664 342865510 /nfs/dbraw/zinc/86/55/10/342865510.db2.gz LPYJYNGQAQWWPJ-QGZVFWFLSA-N 0 3 249.357 4.248 10 0 BIAEHN c1ccc(CC2=NCCC[C@H]2c2ccccc2)cc1 ZINC000078684665 342865523 /nfs/dbraw/zinc/86/55/23/342865523.db2.gz LPYJYNGQAQWWPJ-KRWDZBQOSA-N 0 3 249.357 4.248 10 0 BIAEHN CC[C@H](N)c1c(Cl)ccc(Cl)c1Cl ZINC000083158971 171490168 /nfs/dbraw/zinc/49/01/68/171490168.db2.gz LKDRUCUPXXACQE-ZETCQYMHSA-N 0 3 238.545 4.057 10 0 BIAEHN CCC(CC)CNCc1ccc(F)cc1Cl ZINC000083372194 168362005 /nfs/dbraw/zinc/36/20/05/168362005.db2.gz IEZJTZOZPGIAOH-UHFFFAOYSA-N 0 3 243.753 4.005 10 0 BIAEHN CCC(CC)CNCc1cc(Cl)ccc1F ZINC000083372198 168362309 /nfs/dbraw/zinc/36/23/09/168362309.db2.gz RACIKEAWOBQPEF-UHFFFAOYSA-N 0 3 243.753 4.005 10 0 BIAEHN Cc1cc(Cl)cc2cc([C@H](N)C(C)C)oc21 ZINC000083821326 538523987 /nfs/dbraw/zinc/52/39/87/538523987.db2.gz YBOVCXYUNBSRBY-GFCCVEGCSA-N 0 3 237.730 4.050 10 0 BIAEHN Cc1cc(Cl)cc2cc([C@@H](N)C(C)C)oc21 ZINC000083821327 538523823 /nfs/dbraw/zinc/52/38/23/538523823.db2.gz YBOVCXYUNBSRBY-LBPRGKRZSA-N 0 3 237.730 4.050 10 0 BIAEHN CCC[C@H](N)c1cc2cc(Cl)cc(C)c2o1 ZINC000083821333 538523913 /nfs/dbraw/zinc/52/39/13/538523913.db2.gz NBVAOTJGQWQUPZ-NSHDSACASA-N 0 3 237.730 4.195 10 0 BIAEHN CCC[C@@H](N)c1cc2cc(Cl)cc(C)c2o1 ZINC000083821335 538524887 /nfs/dbraw/zinc/52/48/87/538524887.db2.gz NBVAOTJGQWQUPZ-LLVKDONJSA-N 0 3 237.730 4.195 10 0 BIAEHN C[C@H](N[C@H]1C=CCCC1)c1ccc(Cl)s1 ZINC000090392735 256560089 /nfs/dbraw/zinc/56/00/89/256560089.db2.gz VTSOQPQHBILAFR-UWVGGRQHSA-N 0 3 241.787 4.161 10 0 BIAEHN C[C@@H](N[C@H]1C=CCCC1)c1ccc(Cl)s1 ZINC000090392736 398099238 /nfs/dbraw/zinc/09/92/38/398099238.db2.gz VTSOQPQHBILAFR-ZJUUUORDSA-N 0 3 241.787 4.161 10 0 BIAEHN C[C@H](N[C@@H]1C=CCCC1)c1ccc(Cl)s1 ZINC000090392737 384749931 /nfs/dbraw/zinc/74/99/31/384749931.db2.gz VTSOQPQHBILAFR-VHSXEESVSA-N 0 3 241.787 4.161 10 0 BIAEHN C[C@@H](N[C@@H]1C=CCCC1)c1ccc(Cl)s1 ZINC000090392738 384749630 /nfs/dbraw/zinc/74/96/30/384749630.db2.gz VTSOQPQHBILAFR-NXEZZACHSA-N 0 3 241.787 4.161 10 0 BIAEHN CC1CCC(Nc2ccnc3ccccc32)CC1 ZINC000097030122 168165751 /nfs/dbraw/zinc/16/57/51/168165751.db2.gz XVQXTJHLIDSZOP-UHFFFAOYSA-N 0 3 240.350 4.225 10 0 BIAEHN CCN[C@@H](CC1CCCCC1)c1ccccc1F ZINC000103936566 170144132 /nfs/dbraw/zinc/14/41/32/170144132.db2.gz SLSBOLAHCBHYDF-INIZCTEOSA-N 0 3 249.373 4.447 10 0 BIAEHN CCN[C@H](CC1CCCCC1)c1ccccc1F ZINC000103936569 170161327 /nfs/dbraw/zinc/16/13/27/170161327.db2.gz SLSBOLAHCBHYDF-MRXNPFEDSA-N 0 3 249.373 4.447 10 0 BIAEHN CCCc1cccc2c(NC)cc(C3CC3)nc12 ZINC000103957252 169577575 /nfs/dbraw/zinc/57/75/75/169577575.db2.gz KAZFRGFBBISAEV-UHFFFAOYSA-N 0 3 240.350 4.106 10 0 BIAEHN CCCNc1cc(C2CC2)nc2ccc(C)cc21 ZINC000103963352 169293838 /nfs/dbraw/zinc/29/38/38/169293838.db2.gz OTLVTYHFPGYULU-UHFFFAOYSA-N 0 3 240.350 4.243 10 0 BIAEHN CCNc1cc(C2CC2)nc2ccc(CC)cc21 ZINC000103963357 170171987 /nfs/dbraw/zinc/17/19/87/170171987.db2.gz ODUARCXLBFQMRX-UHFFFAOYSA-N 0 3 240.350 4.106 10 0 BIAEHN CCCNc1ccnc2ccc(CCC)cc21 ZINC000103985024 169296131 /nfs/dbraw/zinc/29/61/31/169296131.db2.gz QELKNADSFRHPSN-UHFFFAOYSA-N 0 3 228.339 4.009 10 0 BIAEHN CCCCc1ccc2nccc(NCC)c2c1 ZINC000103985033 169024726 /nfs/dbraw/zinc/02/47/26/169024726.db2.gz QAAMAVGQFSXWSN-UHFFFAOYSA-N 0 3 228.339 4.009 10 0 BIAEHN CCCNc1cc(CCC)nc2ccccc21 ZINC000103993750 169293667 /nfs/dbraw/zinc/29/36/67/169293667.db2.gz JNOUANNVKPKRQX-UHFFFAOYSA-N 0 3 228.339 4.009 10 0 BIAEHN CCNc1cc(C(C)C)nc2c(C)c(C)ccc12 ZINC000103995707 170171227 /nfs/dbraw/zinc/17/12/27/170171227.db2.gz MOLILFCMVMVTJG-UHFFFAOYSA-N 0 3 242.366 4.407 10 0 BIAEHN CCNc1cc(C(C)C)nc2ccc(CC)cc21 ZINC000103997257 170171583 /nfs/dbraw/zinc/17/15/83/170171583.db2.gz SDYKTMDVQOROCM-UHFFFAOYSA-N 0 3 242.366 4.352 10 0 BIAEHN CCNc1cc(CC)nc2c1cccc2C(C)C ZINC000104003015 170172273 /nfs/dbraw/zinc/17/22/73/170172273.db2.gz NVBDPXFZDBJGQJ-UHFFFAOYSA-N 0 3 242.366 4.352 10 0 BIAEHN CCNc1c(C)c(C)nc2c(C)ccc(Cl)c21 ZINC000104005579 170170283 /nfs/dbraw/zinc/17/02/83/170170283.db2.gz ZOJKXYIEXVQJTD-UHFFFAOYSA-N 0 3 248.757 4.245 10 0 BIAEHN CCCNc1cc(CC)nc2c(C)ccc(F)c12 ZINC000104005610 169294028 /nfs/dbraw/zinc/29/40/28/169294028.db2.gz AOUXKXYPYKPCOK-UHFFFAOYSA-N 0 3 246.329 4.067 10 0 BIAEHN CCCNc1c(C)c(C)nc2c(C)ccc(F)c21 ZINC000104006938 169293855 /nfs/dbraw/zinc/29/38/55/169293855.db2.gz LLVORUKPINRDIW-UHFFFAOYSA-N 0 3 246.329 4.121 10 0 BIAEHN CCNc1cc(C(C)C)nc2c(C)cc(C)cc12 ZINC000104013506 170171354 /nfs/dbraw/zinc/17/13/54/170171354.db2.gz PXFFIQUTASXQOX-UHFFFAOYSA-N 0 3 242.366 4.407 10 0 BIAEHN CCCNc1cc(CC)nc2c(C)ccc(C)c12 ZINC000104013565 169293975 /nfs/dbraw/zinc/29/39/75/169293975.db2.gz FCKFVFHGUQEGFH-UHFFFAOYSA-N 0 3 242.366 4.236 10 0 BIAEHN CCNc1cc(C(C)(C)C)nc2c(C)cccc12 ZINC000104013585 170171609 /nfs/dbraw/zinc/17/16/09/170171609.db2.gz QTSIHPMQRBJDEB-UHFFFAOYSA-N 0 3 242.366 4.273 10 0 BIAEHN CCCNc1c(C)c(C)nc2c(C)cc(F)cc21 ZINC000104015225 169293419 /nfs/dbraw/zinc/29/34/19/169293419.db2.gz NRQZCYQYYRHUAS-UHFFFAOYSA-N 0 3 246.329 4.121 10 0 BIAEHN CCNc1cc(C(C)(C)C)nc2ccc(C)cc21 ZINC000104017089 170171505 /nfs/dbraw/zinc/17/15/05/170171505.db2.gz FJBPTMNWTWTXIE-UHFFFAOYSA-N 0 3 242.366 4.273 10 0 BIAEHN CCNc1c(C)c(C)nc2c(C)c(Cl)ccc21 ZINC000104019088 170170715 /nfs/dbraw/zinc/17/07/15/170170715.db2.gz WFKIJHBSIOJWTL-UHFFFAOYSA-N 0 3 248.757 4.245 10 0 BIAEHN CCCNc1cc(C)nc2ccc(CCC)cc21 ZINC000104154526 169293551 /nfs/dbraw/zinc/29/35/51/169293551.db2.gz CFIGKSCGLHAEAS-UHFFFAOYSA-N 0 3 242.366 4.318 10 0 BIAEHN CCNc1c(C)c(CC)nc2c(C)cc(C)cc21 ZINC000104156976 170170084 /nfs/dbraw/zinc/17/00/84/170170084.db2.gz CATDDVOGHADKGF-UHFFFAOYSA-N 0 3 242.366 4.154 10 0 BIAEHN CCNc1c(C)c(CC)nc2ccc(CC)cc21 ZINC000104157660 170170526 /nfs/dbraw/zinc/17/05/26/170170526.db2.gz WVJGAYPGWSIYOZ-UHFFFAOYSA-N 0 3 242.366 4.100 10 0 BIAEHN CCNc1cc(C)nc2ccc(C(C)(C)C)cc21 ZINC000104158138 170172453 /nfs/dbraw/zinc/17/24/53/170172453.db2.gz JZRJEEPBCSDNIM-UHFFFAOYSA-N 0 3 242.366 4.273 10 0 BIAEHN CCc1nc2c(C)c(Cl)ccc2c(NC)c1C ZINC000104159167 172008341 /nfs/dbraw/zinc/00/83/41/172008341.db2.gz WCZMSMQMCNUOFJ-UHFFFAOYSA-N 0 3 248.757 4.109 10 0 BIAEHN CCCNc1cc(C)nc2c(CCC)cccc12 ZINC000104162730 169293584 /nfs/dbraw/zinc/29/35/84/169293584.db2.gz MRXUWMUOHQSYCU-UHFFFAOYSA-N 0 3 242.366 4.318 10 0 BIAEHN CCCNc1c(C)c(CC)nc2ccc(F)cc21 ZINC000104163578 169293888 /nfs/dbraw/zinc/29/38/88/169293888.db2.gz QCICPNGPANOMSJ-UHFFFAOYSA-N 0 3 246.329 4.067 10 0 BIAEHN CCc1nc2c(cccc2C(C)C)c(NC)c1C ZINC000104163582 172008757 /nfs/dbraw/zinc/00/87/57/172008757.db2.gz JZJDBOPAGZRVJJ-UHFFFAOYSA-N 0 3 242.366 4.271 10 0 BIAEHN C[C@@H]1CCCC[C@@H]1Nc1ccnc2ccccc21 ZINC000104169888 176082009 /nfs/dbraw/zinc/08/20/09/176082009.db2.gz GWJNPPXPZQEUKE-OCCSQVGLSA-N 0 3 240.350 4.225 10 0 BIAEHN C[C@H]1CCCC[C@@H]1Nc1ccnc2ccccc21 ZINC000104169894 177083712 /nfs/dbraw/zinc/08/37/12/177083712.db2.gz GWJNPPXPZQEUKE-JSGCOSHPSA-N 0 3 240.350 4.225 10 0 BIAEHN C[C@@H]1CCCC[C@H]1Nc1ccnc2ccccc21 ZINC000104169898 176089170 /nfs/dbraw/zinc/08/91/70/176089170.db2.gz GWJNPPXPZQEUKE-TZMCWYRMSA-N 0 3 240.350 4.225 10 0 BIAEHN C[C@H]1CCCC[C@H]1Nc1ccnc2ccccc21 ZINC000104169901 177089548 /nfs/dbraw/zinc/08/95/48/177089548.db2.gz GWJNPPXPZQEUKE-GXTWGEPZSA-N 0 3 240.350 4.225 10 0 BIAEHN Cc1cc(NCCCC(C)C)c2ccccc2n1 ZINC000104176217 178158026 /nfs/dbraw/zinc/15/80/26/178158026.db2.gz FWHAKVJZAQLESI-UHFFFAOYSA-N 0 3 242.366 4.391 10 0 BIAEHN CC[C@H](C)[C@@H](C)Nc1cc(C)nc2ccccc21 ZINC000104177440 171367538 /nfs/dbraw/zinc/36/75/38/171367538.db2.gz WAXUXAMHTHFWRF-WCQYABFASA-N 0 3 242.366 4.390 10 0 BIAEHN CC[C@H](C)[C@H](C)Nc1cc(C)nc2ccccc21 ZINC000104177448 171391308 /nfs/dbraw/zinc/39/13/08/171391308.db2.gz WAXUXAMHTHFWRF-AAEUAGOBSA-N 0 3 242.366 4.390 10 0 BIAEHN CCC[C@@H](C)C[C@H](NC)c1cc(F)ccc1F ZINC000104238123 169361551 /nfs/dbraw/zinc/36/15/51/169361551.db2.gz UQULLGAMEIJLJD-YGRLFVJLSA-N 0 3 241.325 4.052 10 0 BIAEHN CCC[C@@H](C)C[C@@H](NC)c1cc(F)ccc1F ZINC000104238131 169361348 /nfs/dbraw/zinc/36/13/48/169361348.db2.gz UQULLGAMEIJLJD-QMTHXVAHSA-N 0 3 241.325 4.052 10 0 BIAEHN CCN[C@@H](C[C@@H](C)C(C)(C)C)c1ccc(C)o1 ZINC000104432761 170146381 /nfs/dbraw/zinc/14/63/81/170146381.db2.gz UFYXIQBDFPBMHE-YPMHNXCESA-N 0 3 237.387 4.311 10 0 BIAEHN CCN[C@H](C[C@@H](C)C(C)(C)C)c1ccc(C)o1 ZINC000104432765 170162505 /nfs/dbraw/zinc/16/25/05/170162505.db2.gz UFYXIQBDFPBMHE-DGCLKSJQSA-N 0 3 237.387 4.311 10 0 BIAEHN CCN[C@@H](C[C@H](C)C(C)(C)C)c1ccc(C)o1 ZINC000104432767 170146483 /nfs/dbraw/zinc/14/64/83/170146483.db2.gz UFYXIQBDFPBMHE-AAEUAGOBSA-N 0 3 237.387 4.311 10 0 BIAEHN CCN[C@H](C[C@H](C)C(C)(C)C)c1ccc(C)o1 ZINC000104432770 170162362 /nfs/dbraw/zinc/16/23/62/170162362.db2.gz UFYXIQBDFPBMHE-WCQYABFASA-N 0 3 237.387 4.311 10 0 BIAEHN CCCNc1cc(C)nc2ccc(C(C)C)cc21 ZINC000110464481 169293494 /nfs/dbraw/zinc/29/34/94/169293494.db2.gz WTYHNGNTEWKZMM-UHFFFAOYSA-N 0 3 242.366 4.489 10 0 BIAEHN C[C@@H](c1ccccc1)N1CCC[C@@H]1c1ccco1 ZINC000116290123 323204186 /nfs/dbraw/zinc/20/41/86/323204186.db2.gz DRDSQSUJGAQLQJ-DZGCQCFKSA-N 0 3 241.334 4.178 10 0 BIAEHN C[C@H](c1ccccc1)N1CCC[C@@H]1c1ccco1 ZINC000116290125 323204316 /nfs/dbraw/zinc/20/43/16/323204316.db2.gz DRDSQSUJGAQLQJ-UKRRQHHQSA-N 0 3 241.334 4.178 10 0 BIAEHN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1ccc(Cl)s1 ZINC000130326366 322962633 /nfs/dbraw/zinc/96/26/33/322962633.db2.gz VYGXHYFCUOHUMR-AEJSXWLSSA-N 0 3 243.803 4.241 10 0 BIAEHN CCC[C@@H]1C[C@H]1N[C@@H](C)c1ccc(Cl)s1 ZINC000130326794 325040409 /nfs/dbraw/zinc/04/04/09/325040409.db2.gz VYGXHYFCUOHUMR-IVZWLZJFSA-N 0 3 243.803 4.241 10 0 BIAEHN C[C@H](N[C@H]1C=CCCC1)c1cccc(Cl)c1 ZINC000130695649 325080621 /nfs/dbraw/zinc/08/06/21/325080621.db2.gz VPSZEWUGFDCWFO-FZMZJTMJSA-N 0 3 235.758 4.099 10 0 BIAEHN C[C@H](N[C@@H]1C=CCCC1)c1cccc(Cl)c1 ZINC000130696046 325080521 /nfs/dbraw/zinc/08/05/21/325080521.db2.gz VPSZEWUGFDCWFO-SMDDNHRTSA-N 0 3 235.758 4.099 10 0 BIAEHN CC(C)C[C@H](N)c1cc2cc(Cl)ccc2o1 ZINC000131726794 538597747 /nfs/dbraw/zinc/59/77/47/538597747.db2.gz MVZSSGYLPFBJSV-NSHDSACASA-N 0 3 237.730 4.132 10 0 BIAEHN CC(C)C[C@@H](N)c1cc2cc(Cl)ccc2o1 ZINC000131726999 538597316 /nfs/dbraw/zinc/59/73/16/538597316.db2.gz MVZSSGYLPFBJSV-LLVKDONJSA-N 0 3 237.730 4.132 10 0 BIAEHN CC(C)C[C@H](N)c1cc2cccc(Cl)c2o1 ZINC000131728065 538595568 /nfs/dbraw/zinc/59/55/68/538595568.db2.gz IUTCCDLYSFEZLL-NSHDSACASA-N 0 3 237.730 4.132 10 0 BIAEHN CC(C)C[C@@H](N)c1cc2cccc(Cl)c2o1 ZINC000131728266 538597146 /nfs/dbraw/zinc/59/71/46/538597146.db2.gz IUTCCDLYSFEZLL-LLVKDONJSA-N 0 3 237.730 4.132 10 0 BIAEHN CC[C@@H](C)[C@H](N)c1cc2cc(Cl)ccc2o1 ZINC000131741820 538597422 /nfs/dbraw/zinc/59/74/22/538597422.db2.gz XWDVAIKDNFGOPF-OQPBUACISA-N 0 3 237.730 4.132 10 0 BIAEHN CC[C@H](C)[C@H](N)c1cc2cc(Cl)ccc2o1 ZINC000131741993 538598390 /nfs/dbraw/zinc/59/83/90/538598390.db2.gz XWDVAIKDNFGOPF-SDBXPKJASA-N 0 3 237.730 4.132 10 0 BIAEHN CC[C@@H](C)[C@@H](N)c1cc2cc(Cl)ccc2o1 ZINC000131742234 538109192 /nfs/dbraw/zinc/10/91/92/538109192.db2.gz XWDVAIKDNFGOPF-AMIZOPFISA-N 0 3 237.730 4.132 10 0 BIAEHN CC[C@H](C)[C@@H](N)c1cc2cc(Cl)ccc2o1 ZINC000131742485 538596202 /nfs/dbraw/zinc/59/62/02/538596202.db2.gz XWDVAIKDNFGOPF-ISVAXAHUSA-N 0 3 237.730 4.132 10 0 BIAEHN CC[C@@H](C)[C@H](N)c1cc2cccc(Cl)c2o1 ZINC000131744385 538597236 /nfs/dbraw/zinc/59/72/36/538597236.db2.gz IXAXHQVHTMXQFK-PELKAZGASA-N 0 3 237.730 4.132 10 0 BIAEHN CC[C@H](C)[C@H](N)c1cc2cccc(Cl)c2o1 ZINC000131744602 538597291 /nfs/dbraw/zinc/59/72/91/538597291.db2.gz IXAXHQVHTMXQFK-UFBFGSQYSA-N 0 3 237.730 4.132 10 0 BIAEHN CC[C@@H](C)[C@@H](N)c1cc2cccc(Cl)c2o1 ZINC000131744802 538595835 /nfs/dbraw/zinc/59/58/35/538595835.db2.gz IXAXHQVHTMXQFK-PRHODGIISA-N 0 3 237.730 4.132 10 0 BIAEHN CC[C@H](C)[C@@H](N)c1cc2cccc(Cl)c2o1 ZINC000131744992 538597584 /nfs/dbraw/zinc/59/75/84/538597584.db2.gz IXAXHQVHTMXQFK-QPUJVOFHSA-N 0 3 237.730 4.132 10 0 BIAEHN CCC(=N)Nc1cc(Cl)c(C)cc1Cl ZINC000132297219 371787302 /nfs/dbraw/zinc/78/73/02/371787302.db2.gz ZSWUDEKLUYTKCV-UHFFFAOYSA-N 0 3 231.126 4.101 10 0 BIAEHN CC[C@@H](C)[C@H](N)c1cc2sccc2s1 ZINC000132987009 371963950 /nfs/dbraw/zinc/96/39/50/371963950.db2.gz KZELQOUBGDOMCH-HQJQHLMTSA-N 0 3 225.382 4.009 10 0 BIAEHN CC[C@H](C)[C@H](N)c1cc2sccc2s1 ZINC000132987215 371964345 /nfs/dbraw/zinc/96/43/45/371964345.db2.gz KZELQOUBGDOMCH-CPCISQLKSA-N 0 3 225.382 4.009 10 0 BIAEHN CC[C@@H](C)[C@@H](N)c1cc2sccc2s1 ZINC000132987420 371964378 /nfs/dbraw/zinc/96/43/78/371964378.db2.gz KZELQOUBGDOMCH-RDDDGLTNSA-N 0 3 225.382 4.009 10 0 BIAEHN CC[C@H](C)[C@@H](N)c1cc2sccc2s1 ZINC000132987637 371964151 /nfs/dbraw/zinc/96/41/51/371964151.db2.gz KZELQOUBGDOMCH-WRWORJQWSA-N 0 3 225.382 4.009 10 0 BIAEHN CC[C@@H](N)c1c(Cl)cc(Cl)cc1Cl ZINC000161766423 346499005 /nfs/dbraw/zinc/49/90/05/346499005.db2.gz MYRYXZAIGWFCCA-MRVPVSSYSA-N 0 3 238.545 4.057 10 0 BIAEHN CC[C@H](N)c1c(Cl)cc(Cl)cc1Cl ZINC000162252162 371640162 /nfs/dbraw/zinc/64/01/62/371640162.db2.gz MYRYXZAIGWFCCA-QMMMGPOBSA-N 0 3 238.545 4.057 10 0 BIAEHN CCCCC[C@H](N)c1cc(Cl)ccc1F ZINC000165123888 342876068 /nfs/dbraw/zinc/87/60/68/342876068.db2.gz XPPOLZBOARRWSE-LBPRGKRZSA-N 0 3 229.726 4.059 10 0 BIAEHN CCCCC[C@@H](N)c1cc(Cl)ccc1F ZINC000165123995 342876246 /nfs/dbraw/zinc/87/62/46/342876246.db2.gz XPPOLZBOARRWSE-GFCCVEGCSA-N 0 3 229.726 4.059 10 0 BIAEHN C[C@H](N[C@H]1C[C@H]1C)c1cccc(Cl)c1Cl ZINC000167282790 206144944 /nfs/dbraw/zinc/14/49/44/206144944.db2.gz GGUVBNMMWFWOJU-FYBVGQRMSA-N 0 3 244.165 4.052 10 0 BIAEHN C[C@H](N[C@H]1C[C@@H]1C)c1cccc(Cl)c1Cl ZINC000167282887 206144474 /nfs/dbraw/zinc/14/44/74/206144474.db2.gz GGUVBNMMWFWOJU-LAEOZQHASA-N 0 3 244.165 4.052 10 0 BIAEHN C[C@H](N[C@@H]1C[C@H]1C)c1cccc(Cl)c1Cl ZINC000167283008 206145275 /nfs/dbraw/zinc/14/52/75/206145275.db2.gz GGUVBNMMWFWOJU-VHSKPIJISA-N 0 3 244.165 4.052 10 0 BIAEHN C[C@H](N[C@@H]1C[C@@H]1C)c1cccc(Cl)c1Cl ZINC000167283113 387788655 /nfs/dbraw/zinc/78/86/55/387788655.db2.gz GGUVBNMMWFWOJU-DKCNOQQISA-N 0 3 244.165 4.052 10 0 BIAEHN CC(C)C[C@H](N)c1cc2sccc2s1 ZINC000168185373 356537529 /nfs/dbraw/zinc/53/75/29/356537529.db2.gz KGNJRGUTHCHJBI-QMMMGPOBSA-N 0 3 225.382 4.009 10 0 BIAEHN CC(C)C[C@@H](N)c1cc2sccc2s1 ZINC000168185477 356538522 /nfs/dbraw/zinc/53/85/22/356538522.db2.gz KGNJRGUTHCHJBI-MRVPVSSYSA-N 0 3 225.382 4.009 10 0 BIAEHN CC(C)C[C@H](N)c1c(Cl)cccc1Cl ZINC000169252676 346758207 /nfs/dbraw/zinc/75/82/07/346758207.db2.gz OAMSSTOUUMEZJI-JTQLQIEISA-N 0 3 232.154 4.039 10 0 BIAEHN CC(C)C[C@@H](N)c1c(Cl)cccc1Cl ZINC000169252738 359981958 /nfs/dbraw/zinc/98/19/58/359981958.db2.gz OAMSSTOUUMEZJI-SNVBAGLBSA-N 0 3 232.154 4.039 10 0 BIAEHN C[C@@H](N[C@@H]1C=CCCC1)c1ccc(Cl)cc1 ZINC000224732724 388669058 /nfs/dbraw/zinc/66/90/58/388669058.db2.gz NOFKBYAVIHAVQI-BXUZGUMPSA-N 0 3 235.758 4.099 10 0 BIAEHN C[C@H](N[C@@H]1C=CCCC1)c1ccc(Cl)cc1 ZINC000224732766 322988684 /nfs/dbraw/zinc/98/86/84/322988684.db2.gz NOFKBYAVIHAVQI-SMDDNHRTSA-N 0 3 235.758 4.099 10 0 BIAEHN C[C@@H](N[C@H]1C=CCCC1)c1ccc(Cl)cc1 ZINC000224732811 322988632 /nfs/dbraw/zinc/98/86/32/322988632.db2.gz NOFKBYAVIHAVQI-RISCZKNCSA-N 0 3 235.758 4.099 10 0 BIAEHN C[C@H](N[C@H]1C=CCCC1)c1ccc(Cl)cc1 ZINC000224732855 388669674 /nfs/dbraw/zinc/66/96/74/388669674.db2.gz NOFKBYAVIHAVQI-FZMZJTMJSA-N 0 3 235.758 4.099 10 0 BIAEHN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1csc(Cl)c1 ZINC000230410821 388825385 /nfs/dbraw/zinc/82/53/85/388825385.db2.gz FCNQOYLHSQXYQW-NGZCFLSTSA-N 0 3 243.803 4.241 10 0 BIAEHN CCC[C@@H]1C[C@H]1N[C@@H](C)c1csc(Cl)c1 ZINC000230410828 388825768 /nfs/dbraw/zinc/82/57/68/388825768.db2.gz FCNQOYLHSQXYQW-IQJOONFLSA-N 0 3 243.803 4.241 10 0 BIAEHN CC(C)=C[C@@H](N)c1cc(Cl)sc1Cl ZINC000232558176 353733488 /nfs/dbraw/zinc/73/34/88/353733488.db2.gz UQULEWCJYXIMQE-SSDOTTSWSA-N 0 3 236.167 4.021 10 0 BIAEHN CC(C)=C[C@H](N)c1cc(Cl)sc1Cl ZINC000232565999 353134677 /nfs/dbraw/zinc/13/46/77/353134677.db2.gz UQULEWCJYXIMQE-ZETCQYMHSA-N 0 3 236.167 4.021 10 0 BIAEHN C[C@H](c1ccccc1)N1CCC[C@H]1c1ccco1 ZINC000246855104 388653915 /nfs/dbraw/zinc/65/39/15/388653915.db2.gz DRDSQSUJGAQLQJ-HIFRSBDPSA-N 0 3 241.334 4.178 10 0 BIAEHN C[C@@H](c1ccccc1)N1CCC[C@H]1c1ccco1 ZINC000246855117 388653809 /nfs/dbraw/zinc/65/38/09/388653809.db2.gz DRDSQSUJGAQLQJ-ZFWWWQNUSA-N 0 3 241.334 4.178 10 0 BIAEHN CCc1c2ccccc2oc1[C@H](C)N[C@H]1C[C@H]1C ZINC000250133689 388784411 /nfs/dbraw/zinc/78/44/11/388784411.db2.gz LUUUMNXALLWQOJ-SUNKGSAMSA-N 0 3 243.350 4.054 10 0 BIAEHN CCc1c2ccccc2oc1[C@H](C)N[C@@H]1C[C@H]1C ZINC000250133691 259639019 /nfs/dbraw/zinc/63/90/19/259639019.db2.gz LUUUMNXALLWQOJ-UHIISALHSA-N 0 3 243.350 4.054 10 0 BIAEHN CCC[C@@H]1C[C@@H]1N[C@H](C)c1ccc(Cl)s1 ZINC000252732606 388778243 /nfs/dbraw/zinc/77/82/43/388778243.db2.gz VYGXHYFCUOHUMR-BBBLOLIVSA-N 0 3 243.803 4.241 10 0 BIAEHN CCC[C@@H]1C[C@H]1N[C@H](C)c1ccc(Cl)s1 ZINC000252732607 388778121 /nfs/dbraw/zinc/77/81/21/388778121.db2.gz VYGXHYFCUOHUMR-OPRDCNLKSA-N 0 3 243.803 4.241 10 0 BIAEHN CCC[C@@H]1C[C@H]1N[C@H](C)c1csc(Cl)c1 ZINC000300359045 527866183 /nfs/dbraw/zinc/86/61/83/527866183.db2.gz FCNQOYLHSQXYQW-FXPVBKGRSA-N 0 3 243.803 4.241 10 0 BIAEHN CCC[C@@H]1C[C@@H]1N[C@H](C)c1csc(Cl)c1 ZINC000300359046 527831658 /nfs/dbraw/zinc/83/16/58/527831658.db2.gz FCNQOYLHSQXYQW-KKZNHRDASA-N 0 3 243.803 4.241 10 0 BIAEHN CC[C@@H](C)[C@@H](N)c1cc2c(cccc2Cl)o1 ZINC000304360079 537902426 /nfs/dbraw/zinc/90/24/26/537902426.db2.gz SCYWWZYORXFIGR-AMIZOPFISA-N 0 3 237.730 4.132 10 0 BIAEHN CC[C@H](C)[C@@H](N)c1cc2c(cccc2Cl)o1 ZINC000304360082 537903776 /nfs/dbraw/zinc/90/37/76/537903776.db2.gz SCYWWZYORXFIGR-ISVAXAHUSA-N 0 3 237.730 4.132 10 0 BIAEHN CC[C@@H](C)[C@H](N)c1cc2c(cccc2Cl)o1 ZINC000304360084 537902087 /nfs/dbraw/zinc/90/20/87/537902087.db2.gz SCYWWZYORXFIGR-OQPBUACISA-N 0 3 237.730 4.132 10 0 BIAEHN CC[C@H](C)[C@H](N)c1cc2c(cccc2Cl)o1 ZINC000304360086 537903834 /nfs/dbraw/zinc/90/38/34/537903834.db2.gz SCYWWZYORXFIGR-SDBXPKJASA-N 0 3 237.730 4.132 10 0 BIAEHN CC1(NC/C(Cl)=C/Cl)CCCCCC1 ZINC000306613060 353029690 /nfs/dbraw/zinc/02/96/90/353029690.db2.gz KAEULOGWTNRURL-NTMALXAHSA-N 0 3 236.186 4.008 10 0 BIAEHN C[C@@H](NCc1ccsc1Cl)C1CCCC1 ZINC000309157935 385128015 /nfs/dbraw/zinc/12/80/15/385128015.db2.gz XWBIKWRYWRJCRL-SECBINFHSA-N 0 3 243.803 4.070 10 0 BIAEHN C[C@H](NCc1ccsc1Cl)C1CCCC1 ZINC000309157940 385129516 /nfs/dbraw/zinc/12/95/16/385129516.db2.gz XWBIKWRYWRJCRL-VIFPVBQESA-N 0 3 243.803 4.070 10 0 BIAEHN Cc1ccc([C@H](C)N[C@H]2C=CCCCCC2)o1 ZINC000310076456 388475562 /nfs/dbraw/zinc/47/55/62/388475562.db2.gz UXJDGYIOLYPWGH-KBPBESRZSA-N 0 3 233.355 4.128 10 0 BIAEHN Cc1ccc([C@@H](C)N[C@H]2C=CCCCCC2)o1 ZINC000310076457 388475521 /nfs/dbraw/zinc/47/55/21/388475521.db2.gz UXJDGYIOLYPWGH-KGLIPLIRSA-N 0 3 233.355 4.128 10 0 BIAEHN Cc1ccc([C@H](C)N[C@@H]2C=CCCCCC2)o1 ZINC000310076459 388475772 /nfs/dbraw/zinc/47/57/72/388475772.db2.gz UXJDGYIOLYPWGH-UONOGXRCSA-N 0 3 233.355 4.128 10 0 BIAEHN Cc1ccc([C@@H](C)N[C@@H]2C=CCCCCC2)o1 ZINC000310076461 388475307 /nfs/dbraw/zinc/47/53/07/388475307.db2.gz UXJDGYIOLYPWGH-ZIAGYGMSSA-N 0 3 233.355 4.128 10 0 BIAEHN Cc1cc(CN[C@H](C)c2ccccc2C)cs1 ZINC000310080166 384631587 /nfs/dbraw/zinc/63/15/87/384631587.db2.gz IRUIMPKTUICJTD-CYBMUJFWSA-N 0 3 245.391 4.216 10 0 BIAEHN Cc1cc(CN[C@@H](C)c2ccccc2C)cs1 ZINC000310080167 384632378 /nfs/dbraw/zinc/63/23/78/384632378.db2.gz IRUIMPKTUICJTD-ZDUSSCGKSA-N 0 3 245.391 4.216 10 0 BIAEHN Cc1cc(CN[C@H](C)c2cccc(C)c2)cs1 ZINC000310240360 388478910 /nfs/dbraw/zinc/47/89/10/388478910.db2.gz BKSXUKSFTHRLJM-CYBMUJFWSA-N 0 3 245.391 4.216 10 0 BIAEHN Cc1sccc1CN[C@H](C)c1ccccc1C ZINC000310295447 388479634 /nfs/dbraw/zinc/47/96/34/388479634.db2.gz SKZXHCWJDPBNAA-GFCCVEGCSA-N 0 3 245.391 4.216 10 0 BIAEHN Cc1sccc1CN[C@@H](C)c1ccccc1C ZINC000310295450 388480047 /nfs/dbraw/zinc/48/00/47/388480047.db2.gz SKZXHCWJDPBNAA-LBPRGKRZSA-N 0 3 245.391 4.216 10 0 BIAEHN Cc1sccc1CN[C@@H](C)c1cccc(C)c1 ZINC000310390956 388481536 /nfs/dbraw/zinc/48/15/36/388481536.db2.gz KZGNSIMYPHWVRG-LBPRGKRZSA-N 0 3 245.391 4.216 10 0 BIAEHN C[C@H](N[C@@H]1C[C@H](C)[C@@H]1C)c1ccccc1Cl ZINC000381437418 345893240 /nfs/dbraw/zinc/89/32/40/345893240.db2.gz YGYBLCZJVFEMEP-AYGWYOGXSA-N 0 3 237.774 4.035 10 0 BIAEHN C[C@H](N[C@@H]1C[C@H](C)[C@H]1C)c1ccccc1Cl ZINC000381437422 345892619 /nfs/dbraw/zinc/89/26/19/345892619.db2.gz YGYBLCZJVFEMEP-BBGACYKPSA-N 0 3 237.774 4.035 10 0 BIAEHN Cc1sccc1CN[C@H](C)c1cccc(C)c1 ZINC000383975206 367665097 /nfs/dbraw/zinc/66/50/97/367665097.db2.gz KZGNSIMYPHWVRG-GFCCVEGCSA-N 0 3 245.391 4.216 10 0 BIAEHN CCCCCCC[C@H]1NCCc2sccc21 ZINC000397209080 583099103 /nfs/dbraw/zinc/09/91/03/583099103.db2.gz CZMXGAHIMZZXKN-CYBMUJFWSA-N 0 3 237.412 4.295 10 0 BIAEHN CCCCCCC[C@@H]1NCCc2sccc21 ZINC000397209082 583099184 /nfs/dbraw/zinc/09/91/84/583099184.db2.gz CZMXGAHIMZZXKN-ZDUSSCGKSA-N 0 3 237.412 4.295 10 0 BIAEHN Cc1ccc([C@H](C)N[C@@H](C)CC2CCCC2)o1 ZINC000468386393 225024751 /nfs/dbraw/zinc/02/47/51/225024751.db2.gz ZDNQPIVBLKSMNP-AAEUAGOBSA-N 0 3 235.371 4.207 10 0 BIAEHN Cc1ccc([C@@H](C)N[C@H](C)CC2CCCC2)o1 ZINC000468386395 225024832 /nfs/dbraw/zinc/02/48/32/225024832.db2.gz ZDNQPIVBLKSMNP-DGCLKSJQSA-N 0 3 235.371 4.207 10 0 BIAEHN Cc1ccc([C@@H](C)N[C@@H](C)CC2CCCC2)o1 ZINC000468386396 225024326 /nfs/dbraw/zinc/02/43/26/225024326.db2.gz ZDNQPIVBLKSMNP-WCQYABFASA-N 0 3 235.371 4.207 10 0 BIAEHN Cc1ccc([C@H](C)N[C@H](C)CC2CCCC2)o1 ZINC000468386398 225024524 /nfs/dbraw/zinc/02/45/24/225024524.db2.gz ZDNQPIVBLKSMNP-YPMHNXCESA-N 0 3 235.371 4.207 10 0 BIAEHN CC(C)(C)[Si](C)(C)Cc1cncc2cc[nH]c21 ZINC000575440298 387127381 /nfs/dbraw/zinc/12/73/81/387127381.db2.gz GLEZXWGTHUMCNB-UHFFFAOYSA-N 0 3 246.430 4.153 10 0 BIAEHN CC1=N[C@@H](C)CC1(c1ccccc1)c1ccccc1 ZINC000584625303 358294240 /nfs/dbraw/zinc/29/42/40/358294240.db2.gz JYWMTTWGVFCFFP-AWEZNQCLSA-N 0 3 249.357 4.226 10 0 BIAEHN CC1=N[C@H](C)CC1(c1ccccc1)c1ccccc1 ZINC000584625311 358294023 /nfs/dbraw/zinc/29/40/23/358294023.db2.gz JYWMTTWGVFCFFP-CQSZACIVSA-N 0 3 249.357 4.226 10 0 BIAEHN CC(C)=C1CC(C)(C)N=C1Cc1ccccc1 ZINC000584655201 358308373 /nfs/dbraw/zinc/30/83/73/358308373.db2.gz DYKORVNXWIIZGD-UHFFFAOYSA-N 0 3 227.351 4.189 10 0 BIAEHN CC(C)N1CCCC[C@@H]1c1ccccc1Cl ZINC000616613926 350815950 /nfs/dbraw/zinc/81/59/50/350815950.db2.gz FIDNDTQWTVFALQ-CQSZACIVSA-N 0 3 237.774 4.275 10 0 BIAEHN CC(C)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000616614576 350835521 /nfs/dbraw/zinc/83/55/21/350835521.db2.gz VQAFENDXWPCQLO-CQSZACIVSA-N 0 3 237.774 4.275 10 0 BIAEHN CC(C)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000616614876 350841109 /nfs/dbraw/zinc/84/11/09/350841109.db2.gz XFSSSRBHXGTISJ-CQSZACIVSA-N 0 3 237.774 4.275 10 0 BIAEHN CC(C)N1CCCC[C@H]1c1ccccc1Cl ZINC000616615174 350845395 /nfs/dbraw/zinc/84/53/95/350845395.db2.gz FIDNDTQWTVFALQ-AWEZNQCLSA-N 0 3 237.774 4.275 10 0 BIAEHN CC(C)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000616615845 350851285 /nfs/dbraw/zinc/85/12/85/350851285.db2.gz VQAFENDXWPCQLO-AWEZNQCLSA-N 0 3 237.774 4.275 10 0 BIAEHN CC(C)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000616615896 350850292 /nfs/dbraw/zinc/85/02/92/350850292.db2.gz XFSSSRBHXGTISJ-AWEZNQCLSA-N 0 3 237.774 4.275 10 0 BIAEHN CCN1CCCCC[C@H]1c1cccc(Cl)c1 ZINC000616622203 351086178 /nfs/dbraw/zinc/08/61/78/351086178.db2.gz WITVOHXEVMXSEL-AWEZNQCLSA-N 0 3 237.774 4.277 10 0 BIAEHN CCN1CCCCC[C@H]1c1ccccc1Cl ZINC000616622275 351086187 /nfs/dbraw/zinc/08/61/87/351086187.db2.gz XPRIYQOVHWIKOU-AWEZNQCLSA-N 0 3 237.774 4.277 10 0 BIAEHN CCN1CCCCC[C@@H]1c1cccc(Cl)c1 ZINC000616624073 351091261 /nfs/dbraw/zinc/09/12/61/351091261.db2.gz WITVOHXEVMXSEL-CQSZACIVSA-N 0 3 237.774 4.277 10 0 BIAEHN CCN1CCCCC[C@@H]1c1ccccc1Cl ZINC000616624139 351091046 /nfs/dbraw/zinc/09/10/46/351091046.db2.gz XPRIYQOVHWIKOU-CQSZACIVSA-N 0 3 237.774 4.277 10 0 BIAEHN CC(C)(C)c1oc(C2CCCCC2)cc1CN ZINC000675052580 537963736 /nfs/dbraw/zinc/96/37/36/537963736.db2.gz BQUJDHLNTNQOGJ-UHFFFAOYSA-N 0 3 235.371 4.084 10 0 BIAEHN NCc1cc(C2CCCCC2)oc1C1CCC1 ZINC000675052792 583916201 /nfs/dbraw/zinc/91/62/01/583916201.db2.gz FHDFAVVVQKPBDA-UHFFFAOYSA-N 0 3 233.355 4.054 10 0 BIAEHN Cc1cc2oc([C@H](N)C(C)C)cc2cc1Cl ZINC000675080256 538519582 /nfs/dbraw/zinc/51/95/82/538519582.db2.gz ASGGLRXMSTZVSQ-CYBMUJFWSA-N 0 3 237.730 4.050 10 0 BIAEHN Cc1cc2oc([C@@H](N)C(C)C)cc2cc1Cl ZINC000675080257 538519605 /nfs/dbraw/zinc/51/96/05/538519605.db2.gz ASGGLRXMSTZVSQ-ZDUSSCGKSA-N 0 3 237.730 4.050 10 0 BIAEHN CCC[C@@H](N)c1cc2c(ccc(Cl)c2F)o1 ZINC000675081149 538521568 /nfs/dbraw/zinc/52/15/68/538521568.db2.gz JONUFHSOQCJPLP-SECBINFHSA-N 0 3 241.693 4.025 10 0 BIAEHN CCC[C@H](N)c1cc2c(ccc(Cl)c2F)o1 ZINC000675081150 538521598 /nfs/dbraw/zinc/52/15/98/538521598.db2.gz JONUFHSOQCJPLP-VIFPVBQESA-N 0 3 241.693 4.025 10 0 BIAEHN CCC[C@@H](N)c1cc2cc(Cl)c(C)cc2o1 ZINC000675081317 538521092 /nfs/dbraw/zinc/52/10/92/538521092.db2.gz QRENLGXPBWQIRI-LLVKDONJSA-N 0 3 237.730 4.195 10 0 BIAEHN CCC[C@H](N)c1cc2cc(Cl)c(C)cc2o1 ZINC000675081318 538521170 /nfs/dbraw/zinc/52/11/70/538521170.db2.gz QRENLGXPBWQIRI-NSHDSACASA-N 0 3 237.730 4.195 10 0 BIAEHN CC(C)C[C@@H](N)c1cc2c(cccc2Cl)o1 ZINC000675081601 538522276 /nfs/dbraw/zinc/52/22/76/538522276.db2.gz VCKKEEBESBAUMD-LLVKDONJSA-N 0 3 237.730 4.132 10 0 BIAEHN CC(C)C[C@H](N)c1cc2c(cccc2Cl)o1 ZINC000675081602 538522797 /nfs/dbraw/zinc/52/27/97/538522797.db2.gz VCKKEEBESBAUMD-NSHDSACASA-N 0 3 237.730 4.132 10 0 BIAEHN CCC[C@@H](N)c1cc2c(cc(C)cc2Cl)o1 ZINC000675081613 538522310 /nfs/dbraw/zinc/52/23/10/538522310.db2.gz VMCZHBVFLKXNQS-LLVKDONJSA-N 0 3 237.730 4.195 10 0 BIAEHN CCC[C@H](N)c1cc2c(cc(C)cc2Cl)o1 ZINC000675081614 538522211 /nfs/dbraw/zinc/52/22/11/538522211.db2.gz VMCZHBVFLKXNQS-NSHDSACASA-N 0 3 237.730 4.195 10 0 BIAEHN Cc1cc2oc([C@H](N)C(C)C)cc2c(Cl)c1 ZINC000675081907 538523261 /nfs/dbraw/zinc/52/32/61/538523261.db2.gz ZKUWFDQECMTISY-CYBMUJFWSA-N 0 3 237.730 4.050 10 0 BIAEHN Cc1cc2oc([C@@H](N)C(C)C)cc2c(Cl)c1 ZINC000675081908 538522439 /nfs/dbraw/zinc/52/24/39/538522439.db2.gz ZKUWFDQECMTISY-ZDUSSCGKSA-N 0 3 237.730 4.050 10 0 BIAEHN CCCC1(CCC)N[C@H](c2ccccc2)CCO1 ZINC000757141216 582521379 /nfs/dbraw/zinc/52/13/79/582521379.db2.gz OVQNVOABDBBWHN-HNNXBMFYSA-N 0 3 247.382 4.034 10 0 BIAEHN CCCC1(CCC)N[C@@H](c2ccccc2)CCO1 ZINC000757141218 582521709 /nfs/dbraw/zinc/52/17/09/582521709.db2.gz OVQNVOABDBBWHN-OAHLLOKOSA-N 0 3 247.382 4.034 10 0 BIAEHN