smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc2cc(Cl)ccc2c1Cl ZINC000001998875 183284038 /nfs/dbraw/zinc/28/40/38/183284038.db2.gz YUCXHHWEDKATAI-UHFFFAOYSA-N -1 1 213.063 3.852 10 0 BHAEMM CC(C)c1n[n-]c(=S)n1C1CCCCC1 ZINC000006837962 541441311 /nfs/dbraw/zinc/44/13/11/541441311.db2.gz UONNFSSMGQDWEU-UHFFFAOYSA-N -1 1 225.361 3.569 10 0 BHAEMM [O-]c1cc(Cl)ccc1Oc1ccccc1 ZINC000013559000 183259456 /nfs/dbraw/zinc/25/94/56/183259456.db2.gz ZVTLRRZWZYDDLD-UHFFFAOYSA-N -1 1 220.655 3.838 10 0 in-vitro BHAEMM CCCc1cccc(C(=O)c2ccccc2)c1[O-] ZINC000028759822 188110468 /nfs/dbraw/zinc/11/04/68/188110468.db2.gz DEDYLFIXLIFBAN-UHFFFAOYSA-N -1 1 240.302 3.576 10 0 BHAEMM O=Cc1cccc(-c2ccc([O-])c(Cl)c2)c1 ZINC000031995737 385117049 /nfs/dbraw/zinc/11/70/49/385117049.db2.gz HKTJYZXJEKINNA-UHFFFAOYSA-N -1 1 232.666 3.525 10 0 BHAEMM O=Cc1ccc(-c2ccc([O-])c(Cl)c2)cc1 ZINC000031995739 385117316 /nfs/dbraw/zinc/11/73/16/385117316.db2.gz UTIXPCLORINPND-UHFFFAOYSA-N -1 1 232.666 3.525 10 0 BHAEMM COc1ccc(-c2ccc([O-])c(Cl)c2)cc1 ZINC000032003077 175034260 /nfs/dbraw/zinc/03/42/60/175034260.db2.gz VTTLALIYIIFAAZ-UHFFFAOYSA-N -1 1 234.682 3.721 10 0 BHAEMM COc1cccc(-c2ccc([O-])c(Cl)c2)c1 ZINC000032003083 175233790 /nfs/dbraw/zinc/23/37/90/175233790.db2.gz JYTSUCWTIUCMMY-UHFFFAOYSA-N -1 1 234.682 3.721 10 0 BHAEMM COc1ccccc1-c1ccc([O-])c(Cl)c1 ZINC000032003089 175309841 /nfs/dbraw/zinc/30/98/41/175309841.db2.gz OEPIESXFELXICQ-UHFFFAOYSA-N -1 1 234.682 3.721 10 0 BHAEMM [O-]C1=c2c(c(Cl)c(Cl)cc2Cl)=NC1 ZINC000038409987 183255820 /nfs/dbraw/zinc/25/58/20/183255820.db2.gz AZHVDKFCICWCSO-UHFFFAOYSA-N -1 1 236.485 3.834 10 0 BHAEMM Cc1csc2c([O-])c(-c3ccccc3)cn12 ZINC000039111153 343385314 /nfs/dbraw/zinc/38/53/14/343385314.db2.gz UDGOYHAZVLHKQH-UHFFFAOYSA-N -1 1 229.304 3.682 10 0 BHAEMM [O-]c1ccc(Cl)cc1-c1nc2ccccc2o1 ZINC000039202856 347181917 /nfs/dbraw/zinc/18/19/17/347181917.db2.gz QBWHQMNXBZFAAF-UHFFFAOYSA-N -1 1 245.665 3.854 10 0 BHAEMM CC(C)(C)Cn1c(=S)[n-]nc1-c1ccccc1 ZINC000040494704 582676053 /nfs/dbraw/zinc/67/60/53/582676053.db2.gz YXGGVFFDTPQVSG-UHFFFAOYSA-N -1 1 247.367 3.654 10 0 BHAEMM [O-]c1ccc(-c2cccc(F)c2)cc1Cl ZINC000041660610 183263925 /nfs/dbraw/zinc/26/39/25/183263925.db2.gz AIXKGSDPBCSSHI-UHFFFAOYSA-N -1 1 222.646 3.852 10 0 BHAEMM [O-]c1ccc(-c2cc(F)ccc2O)cc1Cl ZINC000041661324 183264200 /nfs/dbraw/zinc/26/42/00/183264200.db2.gz BPIZWEHRTPCTNV-UHFFFAOYSA-N -1 1 238.645 3.557 10 0 BHAEMM [O-]c1ccc(-c2cc(F)cc(F)c2)cc1Cl ZINC000041662151 183264295 /nfs/dbraw/zinc/26/42/95/183264295.db2.gz LWBFLDSIURFOOZ-UHFFFAOYSA-N -1 1 240.636 3.991 10 0 BHAEMM [O-]c1ccc(-c2ccc(F)c(F)c2)cc1Cl ZINC000041662521 183264313 /nfs/dbraw/zinc/26/43/13/183264313.db2.gz FDAJKMGUPYJFPF-UHFFFAOYSA-N -1 1 240.636 3.991 10 0 BHAEMM [O-]c1ccc(-c2ccc(F)cc2F)cc1Cl ZINC000041662897 183264790 /nfs/dbraw/zinc/26/47/90/183264790.db2.gz VFGWEIVKUDISMR-UHFFFAOYSA-N -1 1 240.636 3.991 10 0 BHAEMM [O-]c1ccc(-c2ccccc2F)cc1Cl ZINC000047206808 183264837 /nfs/dbraw/zinc/26/48/37/183264837.db2.gz VAPPHRAUOINSEG-UHFFFAOYSA-N -1 1 222.646 3.852 10 0 BHAEMM [O-]c1cc(-c2cccc(F)c2)ccc1Cl ZINC000047206812 183254300 /nfs/dbraw/zinc/25/43/00/183254300.db2.gz GOQWZRUBRNEYLI-UHFFFAOYSA-N -1 1 222.646 3.852 10 0 BHAEMM [O-]c1cc(-c2ccc(F)cc2)ccc1Cl ZINC000047206814 183254098 /nfs/dbraw/zinc/25/40/98/183254098.db2.gz TZGZGBPFJVRLEQ-UHFFFAOYSA-N -1 1 222.646 3.852 10 0 BHAEMM [O-]c1ccc2c(Cl)c(O)ccc2c1Cl ZINC000059162645 323085458 /nfs/dbraw/zinc/08/54/58/323085458.db2.gz JIMGROGEZZBSDW-UHFFFAOYSA-N -1 1 229.062 3.558 10 0 BHAEMM CC(C)(C)c1cc(Cl)c([O-])cc1Cl ZINC000059557333 343710470 /nfs/dbraw/zinc/71/04/70/343710470.db2.gz UBLDZSSBAAKNKN-UHFFFAOYSA-N -1 1 219.111 3.997 10 0 BHAEMM CCc1cc([O-])c(Cl)c(CC)c1Cl ZINC000060053293 342888976 /nfs/dbraw/zinc/88/89/76/342888976.db2.gz FSMQFPSXJKGYOC-UHFFFAOYSA-N -1 1 219.111 3.824 10 0 BHAEMM [O-]c1ccc2c(Cl)cccc2c1Cl ZINC000062721391 183278374 /nfs/dbraw/zinc/27/83/74/183278374.db2.gz LABOTGWMEVWYHC-UHFFFAOYSA-N -1 1 213.063 3.852 10 0 BHAEMM [O-]c1ccc2ccc(Cl)cc2c1Cl ZINC000062721394 183284019 /nfs/dbraw/zinc/28/40/19/183284019.db2.gz AOXQTQUDLNNSDO-UHFFFAOYSA-N -1 1 213.063 3.852 10 0 BHAEMM [O-]c1ccc2cccc(Cl)c2c1Cl ZINC000062721396 183284168 /nfs/dbraw/zinc/28/41/68/183284168.db2.gz DPUPMVJCQRPJFY-UHFFFAOYSA-N -1 1 213.063 3.852 10 0 BHAEMM [O-]c1cc2ccc(Cl)cc2cc1Cl ZINC000062721399 183262903 /nfs/dbraw/zinc/26/29/03/183262903.db2.gz AHQBPXAMCQFRIU-UHFFFAOYSA-N -1 1 213.063 3.852 10 0 BHAEMM [O-]c1ccc(-c2c(F)cc(F)cc2F)cc1F ZINC000065340967 183264845 /nfs/dbraw/zinc/26/48/45/183264845.db2.gz ZRMDDCOJQNDFMI-UHFFFAOYSA-N -1 1 242.171 3.616 10 0 BHAEMM Cc1ccc(-c2cccc(C=O)c2[O-])c(Cl)c1 ZINC000065341930 178326735 /nfs/dbraw/zinc/32/67/35/178326735.db2.gz JAESQVGCFKNKFF-UHFFFAOYSA-N -1 1 246.693 3.834 10 0 BHAEMM [O-]c1ccc(-c2cccs2)cc1Cl ZINC000065343016 183263862 /nfs/dbraw/zinc/26/38/62/183263862.db2.gz IJQUQPICWVIJIP-UHFFFAOYSA-N -1 1 210.685 3.774 10 0 BHAEMM [O-]c1cc(-c2cccs2)ccc1Cl ZINC000065343018 183256460 /nfs/dbraw/zinc/25/64/60/183256460.db2.gz XCPVBQCLDPXTPH-UHFFFAOYSA-N -1 1 210.685 3.774 10 0 BHAEMM [O-]c1ccc(-c2ccsc2)cc1Cl ZINC000065343021 183264829 /nfs/dbraw/zinc/26/48/29/183264829.db2.gz JWKFVNKEJYCZAO-UHFFFAOYSA-N -1 1 210.685 3.774 10 0 BHAEMM [O-]c1cc(-c2ccsc2)ccc1Cl ZINC000065343022 183256247 /nfs/dbraw/zinc/25/62/47/183256247.db2.gz XMMXJMVFPZFGTF-UHFFFAOYSA-N -1 1 210.685 3.774 10 0 BHAEMM COc1ccccc1-c1ccc(Cl)c([O-])c1 ZINC000065343129 175309404 /nfs/dbraw/zinc/30/94/04/175309404.db2.gz BXDBXOACBWYNDP-UHFFFAOYSA-N -1 1 234.682 3.721 10 0 BHAEMM COc1cccc(-c2ccc(Cl)c([O-])c2)c1 ZINC000065343132 175234171 /nfs/dbraw/zinc/23/41/71/175234171.db2.gz ASRLTRVLXHPHRE-UHFFFAOYSA-N -1 1 234.682 3.721 10 0 BHAEMM COc1ccc(-c2ccc(Cl)c([O-])c2)cc1 ZINC000065343135 175033390 /nfs/dbraw/zinc/03/33/90/175033390.db2.gz JSZRLQUVMXWCPP-UHFFFAOYSA-N -1 1 234.682 3.721 10 0 BHAEMM [O-]c1ccc(-c2ccc(O)c(F)c2)cc1Cl ZINC000065343170 183264883 /nfs/dbraw/zinc/26/48/83/183264883.db2.gz SFTJEVZYABUYQD-UHFFFAOYSA-N -1 1 238.645 3.557 10 0 BHAEMM [O-]c1cc(-c2ccc(O)c(F)c2)ccc1Cl ZINC000065343172 183264192 /nfs/dbraw/zinc/26/41/92/183264192.db2.gz MEKQMOSMGVVGLJ-UHFFFAOYSA-N -1 1 238.645 3.557 10 0 BHAEMM [O-]c1ccc(-c2cc(O)cc(F)c2)cc1Cl ZINC000065343175 183258651 /nfs/dbraw/zinc/25/86/51/183258651.db2.gz WEENHNNBHLEELU-UHFFFAOYSA-N -1 1 238.645 3.557 10 0 BHAEMM [O-]c1cc(-c2cc(O)cc(F)c2)ccc1Cl ZINC000065343177 183259499 /nfs/dbraw/zinc/25/94/99/183259499.db2.gz KULOZWRQMBYDHX-UHFFFAOYSA-N -1 1 238.645 3.557 10 0 BHAEMM [O-]c1ccc(-c2ccc(F)cc2O)cc1Cl ZINC000065343179 183264888 /nfs/dbraw/zinc/26/48/88/183264888.db2.gz IWPJZCVJAZDJOZ-UHFFFAOYSA-N -1 1 238.645 3.557 10 0 BHAEMM [O-]c1cc(-c2ccc(F)cc2O)ccc1Cl ZINC000065343181 183254448 /nfs/dbraw/zinc/25/44/48/183254448.db2.gz AFWYEHVTQXXMRZ-UHFFFAOYSA-N -1 1 238.645 3.557 10 0 BHAEMM [O-]c1cc(-c2cc(F)ccc2O)ccc1Cl ZINC000065343184 183254208 /nfs/dbraw/zinc/25/42/08/183254208.db2.gz WZJCIQVZRSSJLB-UHFFFAOYSA-N -1 1 238.645 3.557 10 0 BHAEMM [O-]c1cc(-c2ccc(F)cc2F)ccc1Cl ZINC000065343201 183254252 /nfs/dbraw/zinc/25/42/52/183254252.db2.gz JJFHMMLNGKBYLR-UHFFFAOYSA-N -1 1 240.636 3.991 10 0 BHAEMM [O-]c1cc(-c2ccc(F)c(F)c2)ccc1Cl ZINC000065343204 183255319 /nfs/dbraw/zinc/25/53/19/183255319.db2.gz AETVMQDQWCZPQF-UHFFFAOYSA-N -1 1 240.636 3.991 10 0 BHAEMM [O-]c1cc(-c2cc(F)cc(F)c2)ccc1Cl ZINC000065343206 183254226 /nfs/dbraw/zinc/25/42/26/183254226.db2.gz KJYJASYLXRYWPS-UHFFFAOYSA-N -1 1 240.636 3.991 10 0 BHAEMM [O-]c1ccc(-c2cccc(F)c2F)cc1Cl ZINC000065343209 183264863 /nfs/dbraw/zinc/26/48/63/183264863.db2.gz WGAVFNUNKGCNEB-UHFFFAOYSA-N -1 1 240.636 3.991 10 0 BHAEMM [O-]c1cc(-c2cccc(F)c2F)ccc1Cl ZINC000065343211 183255221 /nfs/dbraw/zinc/25/52/21/183255221.db2.gz ROFIJCPAUGBNTR-UHFFFAOYSA-N -1 1 240.636 3.991 10 0 BHAEMM [O-]c1ccc(-c2c(F)cccc2F)cc1Cl ZINC000065343214 183263895 /nfs/dbraw/zinc/26/38/95/183263895.db2.gz GRWRIDLYONMUNH-UHFFFAOYSA-N -1 1 240.636 3.991 10 0 BHAEMM [O-]c1cc(-c2c(F)cccc2F)ccc1Cl ZINC000065343215 183255522 /nfs/dbraw/zinc/25/55/22/183255522.db2.gz UCFXKLYDTVLCQH-UHFFFAOYSA-N -1 1 240.636 3.991 10 0 BHAEMM [O-]c1ccc(-c2cc(F)ccc2F)cc1Cl ZINC000065343220 183264904 /nfs/dbraw/zinc/26/49/04/183264904.db2.gz GEGNVMJMAGFLJK-UHFFFAOYSA-N -1 1 240.636 3.991 10 0 BHAEMM [O-]c1cc(-c2cc(F)ccc2F)ccc1Cl ZINC000065343221 183255725 /nfs/dbraw/zinc/25/57/25/183255725.db2.gz FVBIKGBAHCANEY-UHFFFAOYSA-N -1 1 240.636 3.991 10 0 BHAEMM Cc1cccc2c([O-])c(Br)ccc12 ZINC000071477581 179211881 /nfs/dbraw/zinc/21/18/81/179211881.db2.gz YVCKLHPGFHXQMI-UHFFFAOYSA-N -1 1 237.096 3.616 10 0 BHAEMM Cc1ccc2ccc(Br)c([O-])c2c1 ZINC000071477591 643148358 /nfs/dbraw/zinc/14/83/58/643148358.db2.gz GRXBYYZUAQTLMH-UHFFFAOYSA-N -1 1 237.096 3.616 10 0 BHAEMM [O-]c1ccc(Cl)cc1Oc1ccccc1 ZINC000071789612 183273921 /nfs/dbraw/zinc/27/39/21/183273921.db2.gz PUJRASZLZCXERM-UHFFFAOYSA-N -1 1 220.655 3.838 10 0 BHAEMM CC(C)(C)c1n[n-]c(=S)n1C1CCCCC1 ZINC000075321991 537926731 /nfs/dbraw/zinc/92/67/31/537926731.db2.gz JAWZJMJNHHSUTF-UHFFFAOYSA-N -1 1 239.388 3.743 10 0 BHAEMM CC(C)Cc1n[n-]c(=S)n1C1CCCCC1 ZINC000075321992 537925417 /nfs/dbraw/zinc/92/54/17/537925417.db2.gz KVWQCTPIQPMIDU-UHFFFAOYSA-N -1 1 239.388 3.644 10 0 BHAEMM C[C@@H](c1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000075839602 176015334 /nfs/dbraw/zinc/01/53/34/176015334.db2.gz FXEZIMHUIRUPBT-YFKPBYRVSA-N -1 1 224.609 3.711 10 0 BHAEMM C[C@H](c1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000075839605 177034988 /nfs/dbraw/zinc/03/49/88/177034988.db2.gz FXEZIMHUIRUPBT-RXMQYKEDSA-N -1 1 224.609 3.711 10 0 BHAEMM CCCc1ccc([O-])c(C(=O)c2ccccc2)c1 ZINC000110161604 588620682 /nfs/dbraw/zinc/62/06/82/588620682.db2.gz KOFBTLHXBSQDBI-UHFFFAOYSA-N -1 1 240.302 3.576 10 0 BHAEMM O=Cc1cc(Cl)cc(-c2ccccc2)c1[O-] ZINC000140391561 343072661 /nfs/dbraw/zinc/07/26/61/343072661.db2.gz WLGWZEAAYFHJOI-UHFFFAOYSA-N -1 1 232.666 3.525 10 0 BHAEMM [O-]c1c2ccsc2c(O)c2ccsc21 ZINC000148487706 342791374 /nfs/dbraw/zinc/79/13/74/342791374.db2.gz YIXFOGFVHYUVOR-UHFFFAOYSA-N -1 1 222.290 3.527 10 0 BHAEMM CC(C)c1cc(Cl)c([O-])cc1Cl ZINC000149408069 347039088 /nfs/dbraw/zinc/03/90/88/347039088.db2.gz BOHQQUIIHPXPTO-UHFFFAOYSA-N -1 1 205.084 3.822 10 0 BHAEMM Cc1ccsc1-c1ccc(F)cc1[O-] ZINC000156807885 385468989 /nfs/dbraw/zinc/46/89/89/385468989.db2.gz JPDUBYMGBWTYGB-UHFFFAOYSA-N -1 1 208.257 3.568 10 0 BHAEMM O=C(c1ccccc1)c1cc(C2CC2)ccc1[O-] ZINC000167375784 345789518 /nfs/dbraw/zinc/78/95/18/345789518.db2.gz PJINMFJTYOUNLP-UHFFFAOYSA-N -1 1 238.286 3.501 10 0 BHAEMM Cc1ccccc1-c1c([O-])c(C=O)ccc1Cl ZINC000216207461 342783326 /nfs/dbraw/zinc/78/33/26/342783326.db2.gz YZVOTHBXADGSNC-UHFFFAOYSA-N -1 1 246.693 3.834 10 0 BHAEMM CCC[C@@H](CC)CC(=O)c1ccc([O-])cc1 ZINC000220268160 345861236 /nfs/dbraw/zinc/86/12/36/345861236.db2.gz BSSQBTGQNZHUDV-LLVKDONJSA-N -1 1 220.312 3.791 10 0 BHAEMM CCC[C@H](CC)CC(=O)c1ccc([O-])cc1 ZINC000220268238 350168932 /nfs/dbraw/zinc/16/89/32/350168932.db2.gz BSSQBTGQNZHUDV-NSHDSACASA-N -1 1 220.312 3.791 10 0 BHAEMM [O-]c1cc(Cl)c(C2CC2)cc1Cl ZINC000232335786 352629633 /nfs/dbraw/zinc/62/96/33/352629633.db2.gz AQFFUIXLIQEFQB-UHFFFAOYSA-N -1 1 203.068 3.576 10 0 BHAEMM CC(C)Cc1cc(Cl)c([O-])cc1Cl ZINC000232335886 352629569 /nfs/dbraw/zinc/62/95/69/352629569.db2.gz RBILCLBTYPTGEV-UHFFFAOYSA-N -1 1 219.111 3.898 10 0 BHAEMM [O-]c1ccc(Cl)c(Cl)c1C(F)F ZINC000306582094 360480173 /nfs/dbraw/zinc/48/01/73/360480173.db2.gz CUGJKVOWBGUVKR-UHFFFAOYSA-N -1 1 213.010 3.637 10 0 BHAEMM [O-]c1ccc(Cl)c(OC(F)(F)F)c1Cl ZINC000306627303 361297145 /nfs/dbraw/zinc/29/71/45/361297145.db2.gz IRNDWSAINUCDEJ-UHFFFAOYSA-N -1 1 246.999 3.598 10 0 BHAEMM [O-]c1c(Cl)cc(Cl)cc1OC(F)(F)F ZINC000306642115 361757396 /nfs/dbraw/zinc/75/73/96/361757396.db2.gz RSUHLPKZDQFPSW-UHFFFAOYSA-N -1 1 246.999 3.598 10 0 BHAEMM [O-]c1cc(Cl)c(OC(F)(F)F)cc1Cl ZINC000306642639 353031234 /nfs/dbraw/zinc/03/12/34/353031234.db2.gz UGTCNHVCDUCKBN-UHFFFAOYSA-N -1 1 246.999 3.598 10 0 BHAEMM [O-]c1cc(Cl)c(C(F)F)c(Cl)c1 ZINC000306799015 351054481 /nfs/dbraw/zinc/05/44/81/351054481.db2.gz DXUVRRHDKCFARD-UHFFFAOYSA-N -1 1 213.010 3.637 10 0 BHAEMM [O-]c1cc(Cl)c(Cl)cc1C(F)F ZINC000307029090 351430653 /nfs/dbraw/zinc/43/06/53/351430653.db2.gz NSJLRSUSWLYMDT-UHFFFAOYSA-N -1 1 213.010 3.637 10 0 BHAEMM [O-]c1cc(Cl)c(C(F)(F)F)c(Cl)c1 ZINC000307112027 351484625 /nfs/dbraw/zinc/48/46/25/351484625.db2.gz PCFPKNQJXQQKIN-UHFFFAOYSA-N -1 1 231.000 3.718 10 0 BHAEMM [O-]c1ccc(OC(F)(F)F)c(Cl)c1Cl ZINC000307295844 351907502 /nfs/dbraw/zinc/90/75/02/351907502.db2.gz PNXSVNXVMKKLAG-UHFFFAOYSA-N -1 1 246.999 3.598 10 0 BHAEMM [O-]c1c(Cl)c(Cl)ccc1OC(F)(F)F ZINC000307368426 386194748 /nfs/dbraw/zinc/19/47/48/386194748.db2.gz NWDXLFWGFJNWIR-UHFFFAOYSA-N -1 1 246.999 3.598 10 0 BHAEMM [O-]c1c(Cl)ccc(Cl)c1OC(F)(F)F ZINC000307402388 398163722 /nfs/dbraw/zinc/16/37/22/398163722.db2.gz AQLPINDDFZVHMM-UHFFFAOYSA-N -1 1 246.999 3.598 10 0 BHAEMM [O-]c1cc(Cl)cnc1-c1ccc(Cl)cc1 ZINC000536955802 387169370 /nfs/dbraw/zinc/16/93/70/387169370.db2.gz ZUKKPXGSVLVFST-UHFFFAOYSA-N -1 1 240.089 3.761 10 0 BHAEMM CCc1cc(C(F)F)c([O-])c(C(F)(F)F)c1 ZINC000575670364 387332695 /nfs/dbraw/zinc/33/26/95/387332695.db2.gz GINHUKCNKKQUKK-UHFFFAOYSA-N -1 1 240.171 3.911 10 0 BHAEMM [O-]c1cc(C(F)F)cc(Cl)c1C(F)F ZINC000575676931 387359604 /nfs/dbraw/zinc/35/96/04/387359604.db2.gz NXSYOSPZELMAJD-UHFFFAOYSA-N -1 1 228.572 3.921 10 0 BHAEMM [O-]c1cc(Cl)c(C(F)F)cc1C(F)F ZINC000575676952 384483430 /nfs/dbraw/zinc/48/34/30/384483430.db2.gz OACWGQHTIXEMML-UHFFFAOYSA-N -1 1 228.572 3.921 10 0 BHAEMM [O-]c1cc(C(F)F)c(Cl)cc1C(F)F ZINC000575677531 387358382 /nfs/dbraw/zinc/35/83/82/387358382.db2.gz QGCGCTJDBAXKAC-UHFFFAOYSA-N -1 1 228.572 3.921 10 0 BHAEMM [O-]c1ccc(C(F)F)c(Cl)c1C(F)F ZINC000575677640 384494039 /nfs/dbraw/zinc/49/40/39/384494039.db2.gz UKIZLZLYQCHELL-UHFFFAOYSA-N -1 1 228.572 3.921 10 0 BHAEMM [O-]c1cc(C(F)F)cc(C(F)F)c1Cl ZINC000575678332 387361455 /nfs/dbraw/zinc/36/14/55/387361455.db2.gz VSFBZTAJAXUJCA-UHFFFAOYSA-N -1 1 228.572 3.921 10 0 BHAEMM CC(=O)c1ccc([O-])c(-c2ccc(Cl)cc2)c1 ZINC000584603713 358262472 /nfs/dbraw/zinc/26/24/72/358262472.db2.gz PSULTINZDDUSQX-UHFFFAOYSA-N -1 1 246.693 3.915 10 0 BHAEMM CCCCC[C@H]1C(=O)c2c(cc([O-])cc2O)[C@H]1C ZINC000584618312 358284309 /nfs/dbraw/zinc/28/43/09/358284309.db2.gz TYXLGHQENJLLFU-GXSJLCMTSA-N -1 1 248.322 3.594 10 0 BHAEMM CCCCC[C@@H]1C(=O)c2c(cc([O-])cc2O)[C@@H]1C ZINC000584618313 358284451 /nfs/dbraw/zinc/28/44/51/358284451.db2.gz TYXLGHQENJLLFU-KOLCDFICSA-N -1 1 248.322 3.594 10 0 BHAEMM CCCCC[C@H]1C(=O)c2c(cc([O-])cc2O)[C@@H]1C ZINC000584618314 358284332 /nfs/dbraw/zinc/28/43/32/358284332.db2.gz TYXLGHQENJLLFU-MWLCHTKSSA-N -1 1 248.322 3.594 10 0 BHAEMM CCCCC[C@@H]1C(=O)c2c(cc([O-])cc2O)[C@H]1C ZINC000584618315 358284468 /nfs/dbraw/zinc/28/44/68/358284468.db2.gz TYXLGHQENJLLFU-ONGXEEELSA-N -1 1 248.322 3.594 10 0 BHAEMM [O-]c1cccc(F)c1Oc1ccc(Cl)cc1 ZINC000616576493 349101528 /nfs/dbraw/zinc/10/15/28/349101528.db2.gz ABKHUDYELBYEHR-UHFFFAOYSA-N -1 1 238.645 3.977 10 0 BHAEMM [O-]c1cccc(F)c1Oc1cccc(Cl)c1 ZINC000616579009 349127894 /nfs/dbraw/zinc/12/78/94/349127894.db2.gz OCTNXTJXNWPEKE-UHFFFAOYSA-N -1 1 238.645 3.977 10 0 BHAEMM Cc1ccc(Oc2c([O-])cccc2F)cc1 ZINC000616580052 349234727 /nfs/dbraw/zinc/23/47/27/349234727.db2.gz SXQZRCLMKAQCAY-UHFFFAOYSA-N -1 1 218.227 3.632 10 0 BHAEMM [O-]c1cc2c(Cl)cccc2nc1C(F)(F)F ZINC000685963128 538910178 /nfs/dbraw/zinc/91/01/78/538910178.db2.gz HFWQQBAFXSPIMV-UHFFFAOYSA-N -1 1 247.603 3.613 10 0 BHAEMM [O-]c1cc2cc(Cl)ccc2nc1C(F)(F)F ZINC000685963500 538910028 /nfs/dbraw/zinc/91/00/28/538910028.db2.gz QKEFJVPFBBVUIC-UHFFFAOYSA-N -1 1 247.603 3.613 10 0 BHAEMM [O-]c1cc2cccc(Cl)c2nc1C(F)(F)F ZINC000685963693 538910609 /nfs/dbraw/zinc/91/06/09/538910609.db2.gz VTEDVOUMANGKCD-UHFFFAOYSA-N -1 1 247.603 3.613 10 0 BHAEMM [O-]c1cc2ccc(Cl)cc2nc1C(F)(F)F ZINC000685963788 566487763 /nfs/dbraw/zinc/48/77/63/566487763.db2.gz WVTHBSKYBPASNC-UHFFFAOYSA-N -1 1 247.603 3.613 10 0 BHAEMM Cc1cc(Cl)c([O-])c(C(=O)C(C)(C)C)c1 ZINC000757131896 582507417 /nfs/dbraw/zinc/50/74/17/582507417.db2.gz NZRMCAARHVRSFA-UHFFFAOYSA-N -1 1 226.703 3.583 10 0 BHAEMM