smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(-c2cccs2)c1 ZINC000236815372 202023842 /nfs/dbraw/zinc/02/38/42/202023842.db2.gz VCFYPEXGIDRENI-UHFFFAOYSA-N -1 0 317.410 4.245 20 0 DIADRM Cc1ccc(F)c(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000417607704 335006870 /nfs/dbraw/zinc/00/68/70/335006870.db2.gz HFCCWSMNVZLPTJ-CYBMUJFWSA-N -1 0 301.361 4.009 20 0 DIADRM CC[C@@H](Cc1ccc(NCc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000417607078 335006984 /nfs/dbraw/zinc/00/69/84/335006984.db2.gz GABZRRLJZZWQBU-AWEZNQCLSA-N -1 0 319.351 4.230 20 0 DIADRM COc1cc(C)ccc1CNc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000417607876 335007217 /nfs/dbraw/zinc/00/72/17/335007217.db2.gz HNKNGUWIGACLIZ-AWEZNQCLSA-N -1 0 313.397 4.194 20 0 DIADRM C[C@H](CC(=O)[O-])c1ccc(NCc2csc(C3CC3)n2)cc1 ZINC000417609152 335007637 /nfs/dbraw/zinc/00/76/37/335007637.db2.gz KFAVAMZQHSCCNB-LLVKDONJSA-N -1 0 316.426 4.211 20 0 DIADRM COc1cc(CNc2ccc([C@H](C)CC(=O)[O-])cc2)ccc1C ZINC000417616787 335009271 /nfs/dbraw/zinc/00/92/71/335009271.db2.gz ZJEYMBTVSAAUTG-CQSZACIVSA-N -1 0 313.397 4.194 20 0 DIADRM COCc1cccc(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)c1 ZINC000417616426 335009374 /nfs/dbraw/zinc/00/93/74/335009374.db2.gz ZBXSJKJNAFCVKL-AWEZNQCLSA-N -1 0 313.397 4.023 20 0 DIADRM CC[C@@H](Cc1ccc(NCc2sccc2C)cc1)C(=O)[O-] ZINC000417612636 335011421 /nfs/dbraw/zinc/01/14/21/335011421.db2.gz RKFSHAPTXPPWTN-AWEZNQCLSA-N -1 0 303.427 4.322 20 0 DIADRM COc1ccc(F)cc1CNc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000417613335 335011599 /nfs/dbraw/zinc/01/15/99/335011599.db2.gz SRJWDPJHSLGLGS-LBPRGKRZSA-N -1 0 317.360 4.025 20 0 DIADRM CCOc1ccccc1CNc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000417613945 335011637 /nfs/dbraw/zinc/01/16/37/335011637.db2.gz UOQOVIAOERQGMJ-AWEZNQCLSA-N -1 0 313.397 4.276 20 0 DIADRM CC(C)c1ncc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000417620565 335014263 /nfs/dbraw/zinc/01/42/63/335014263.db2.gz CZNVUDCYDMRFLR-UHFFFAOYSA-N -1 0 318.442 4.241 20 0 DIADRM Cc1cc(N[C@H]2CCC[C@@H](c3cccnc3)C2)ccc1C(=O)[O-] ZINC000563796876 335016619 /nfs/dbraw/zinc/01/66/19/335016619.db2.gz XBOQHKWQCPHNGN-ZBFHGGJFSA-N -1 0 310.397 4.227 20 0 DIADRM Cc1ccc(F)cc1CNc1ccccc1CCCC(=O)[O-] ZINC000417628485 335017067 /nfs/dbraw/zinc/01/70/67/335017067.db2.gz UXGQMAFHDOPAKY-UHFFFAOYSA-N -1 0 301.361 4.154 20 0 DIADRM COc1cc(C)ccc1CNc1ccccc1CCCC(=O)[O-] ZINC000417622640 335017892 /nfs/dbraw/zinc/01/78/92/335017892.db2.gz MHLIYASAYKWFHI-UHFFFAOYSA-N -1 0 313.397 4.023 20 0 DIADRM CC(C)c1cnc(CNc2ccccc2CCCC(=O)[O-])s1 ZINC000417623553 335017950 /nfs/dbraw/zinc/01/79/50/335017950.db2.gz NNHPLLWHDNPAGQ-UHFFFAOYSA-N -1 0 318.442 4.286 20 0 DIADRM CCc1cccc(C)c1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000029010094 182548129 /nfs/dbraw/zinc/54/81/29/182548129.db2.gz BVHNQVYIWBYHTI-UHFFFAOYSA-N -1 0 317.429 4.311 20 0 DIADRM CCSc1cccc(F)c1[N-]C(=O)c1cc(C(C)C)on1 ZINC000291784347 131599727 /nfs/dbraw/zinc/59/97/27/131599727.db2.gz VIGAZVOKOFMACR-UHFFFAOYSA-N -1 0 308.378 4.301 20 0 DIADRM Cc1cc(Cl)c(C(=O)[O-])cc1NC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000297118387 132000609 /nfs/dbraw/zinc/00/06/09/132000609.db2.gz GIYPTPPFXVGXIY-PHIMTYICSA-N -1 0 324.808 4.141 20 0 DIADRM CCSc1cccc(F)c1[N-]C(=O)c1ncoc1C1CC1 ZINC000297677088 132028069 /nfs/dbraw/zinc/02/80/69/132028069.db2.gz GQOSQWHROFYJEN-UHFFFAOYSA-N -1 0 306.362 4.055 20 0 DIADRM CSc1ccc([C@H](C)Nc2nc(C(=O)[O-])c(C)s2)cc1 ZINC000519657560 435696408 /nfs/dbraw/zinc/69/64/08/435696408.db2.gz VDCYXDXNLUDWLA-QMMMGPOBSA-N -1 0 308.428 4.045 20 0 DIADRM COc1cc(C)ccc1-c1noc(-c2cc(Cl)ccc2[O-])n1 ZINC000318502818 332887085 /nfs/dbraw/zinc/88/70/85/332887085.db2.gz YAONXWNFTCYYOI-UHFFFAOYSA-N -1 0 316.744 4.080 20 0 DIADRM Cc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1Cl ZINC000040215584 331613181 /nfs/dbraw/zinc/61/31/81/331613181.db2.gz GLCGSQZZJKMSAY-UHFFFAOYSA-N -1 0 309.793 4.012 20 0 DIADRM O=C([O-])c1cccc(NCc2cnc(-c3ccsc3)s2)c1 ZINC000556322717 331664237 /nfs/dbraw/zinc/66/42/37/331664237.db2.gz XHTNCPZQSJWKMR-UHFFFAOYSA-N -1 0 316.407 4.182 20 0 DIADRM O=C([O-])CC1(CC(=O)Nc2ccc3ccoc3c2)CCCCC1 ZINC000584100331 331713415 /nfs/dbraw/zinc/71/34/15/331713415.db2.gz OGDLRZOZMZRQNC-UHFFFAOYSA-N -1 0 315.369 4.187 20 0 DIADRM CC(C)c1nc(/C=C\c2cccc(Cl)c2F)ncc1C(=O)[O-] ZINC000255313887 331731192 /nfs/dbraw/zinc/73/11/92/331731192.db2.gz SFDPRLZQXLCTIB-SREVYHEPSA-N -1 0 320.751 4.261 20 0 DIADRM CC[C@@H](N=c1nc(C(F)(F)F)[n-]s1)c1cccc(Cl)c1 ZINC000557577942 331800611 /nfs/dbraw/zinc/80/06/11/331800611.db2.gz ATTWNOOGWHSVPL-SECBINFHSA-N -1 0 321.755 4.195 20 0 DIADRM CC(C)(C)c1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)s1 ZINC000426770716 331967042 /nfs/dbraw/zinc/96/70/42/331967042.db2.gz VFRKOFPPGYSXLU-HNNXBMFYSA-N -1 0 321.417 4.100 20 0 DIADRM Cc1cc(NCc2cnc(C3CCC3)s2)ccc1C(=O)[O-] ZINC000518338936 332015796 /nfs/dbraw/zinc/01/57/96/332015796.db2.gz BTDAGEHWVLFZMX-UHFFFAOYSA-N -1 0 302.399 4.029 20 0 DIADRM Cc1ccsc1S(=O)(=O)[N-]c1ccccc1NC(C)(C)C ZINC000410410839 332124270 /nfs/dbraw/zinc/12/42/70/332124270.db2.gz ZIFFKNSZEPBLRP-UHFFFAOYSA-N -1 0 324.471 4.068 20 0 DIADRM O=C([O-])[C@@H](NCc1ccc(-c2ccccc2)cc1)c1cccs1 ZINC000426797958 332154866 /nfs/dbraw/zinc/15/48/66/332154866.db2.gz CPVSUPBSPHWKLK-SFHVURJKSA-N -1 0 323.417 4.331 20 0 DIADRM Cc1cc2cc(CN[C@@H](C(=O)[O-])c3cccs3)oc2cc1C ZINC000426820815 332157700 /nfs/dbraw/zinc/15/77/00/332157700.db2.gz NMDLVKIVPORUOJ-MRXNPFEDSA-N -1 0 315.394 4.027 20 0 DIADRM Cc1ccc(C(=O)[O-])cc1NCc1csc(-c2ccccc2)n1 ZINC000559980365 332298905 /nfs/dbraw/zinc/29/89/05/332298905.db2.gz JXJLEIMWSPMDFE-UHFFFAOYSA-N -1 0 324.405 4.429 20 0 DIADRM Cc1ccc(NCc2ccc(Br)cc2)cc1C(=O)[O-] ZINC000559980252 332299036 /nfs/dbraw/zinc/29/90/36/332299036.db2.gz FUSRQEIECWMHDR-UHFFFAOYSA-N -1 0 320.186 4.068 20 0 DIADRM Cc1c(NCc2cccc(-c3ccncc3)c2)cccc1C(=O)[O-] ZINC000559980470 332299041 /nfs/dbraw/zinc/29/90/41/332299041.db2.gz OTPWYBVGQPSITL-UHFFFAOYSA-N -1 0 318.376 4.367 20 0 DIADRM CCSc1cccc(CNc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000559980433 332299047 /nfs/dbraw/zinc/29/90/47/332299047.db2.gz OBFOUCPSPPUXMQ-UHFFFAOYSA-N -1 0 301.411 4.417 20 0 DIADRM Cc1cc2cc(CN=c3nc(-c4ccccc4)[n-]s3)ccc2[nH]1 ZINC000561405633 332446673 /nfs/dbraw/zinc/44/66/73/332446673.db2.gz XODOETHRAAVRGT-UHFFFAOYSA-N -1 0 320.421 4.029 20 0 DIADRM O=C([O-])c1cccc(NCc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000317917201 332555197 /nfs/dbraw/zinc/55/51/97/332555197.db2.gz LJFHZNPNUQQHFJ-UHFFFAOYSA-N -1 0 313.250 4.155 20 0 DIADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C[C@H]2CCCC[C@H]2C)c1 ZINC000562740768 332621221 /nfs/dbraw/zinc/62/12/21/332621221.db2.gz QLYNAOJYNYNADD-HZSPNIEDSA-N -1 0 303.402 4.030 20 0 DIADRM CC(C)C[C@H]1CCCCCN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000570047112 332705390 /nfs/dbraw/zinc/70/53/90/332705390.db2.gz PPZRFXYUYPNADB-OFLPRAFFSA-N -1 0 323.477 4.085 20 0 DIADRM CCN(CC)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000176947904 332965201 /nfs/dbraw/zinc/96/52/01/332965201.db2.gz HQOUXMGYHHAWQJ-UHFFFAOYSA-N -1 0 303.789 4.195 20 0 DIADRM CC(C)c1nc(/C=C/c2coc3ccccc23)ncc1C(=O)[O-] ZINC000178982675 333022708 /nfs/dbraw/zinc/02/27/08/333022708.db2.gz FCGBPJYYYQTQAO-BQYQJAHWSA-N -1 0 308.337 4.215 20 0 DIADRM O=C(c1cc(F)c([O-])c(F)c1)N(CC1CCC1)c1ccccc1 ZINC000180140022 333027372 /nfs/dbraw/zinc/02/73/72/333027372.db2.gz ZVLLMEZNKZUFEB-UHFFFAOYSA-N -1 0 317.335 4.117 20 0 DIADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000531157321 333035484 /nfs/dbraw/zinc/03/54/84/333035484.db2.gz NWSOIHLCMTZLLB-CQSZACIVSA-N -1 0 319.788 4.150 20 0 DIADRM CCCc1cccc(C(C)C)c1NC(=O)N(C)CCCC(=O)[O-] ZINC000417768943 335130628 /nfs/dbraw/zinc/13/06/28/335130628.db2.gz FQBMMOXXEQDDHV-UHFFFAOYSA-N -1 0 320.433 4.091 20 0 DIADRM CC(C)N(Cc1ccccc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000020555272 333323158 /nfs/dbraw/zinc/32/31/58/333323158.db2.gz LGEIGYNEYKTNNK-UHFFFAOYSA-N -1 0 303.789 4.096 20 0 DIADRM Cc1ccc(CCCC(=O)Nc2cccc(Cl)c2[O-])s1 ZINC000531428289 333351625 /nfs/dbraw/zinc/35/16/25/333351625.db2.gz UTEQDKTVPXOLIY-UHFFFAOYSA-N -1 0 309.818 4.377 20 0 DIADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184472958 333360032 /nfs/dbraw/zinc/36/00/32/333360032.db2.gz JESDOYIPDAQGFT-QWRGUYRKSA-N -1 0 321.779 4.107 20 0 DIADRM [O-]c1c(-c2nc(-c3ccccn3)no2)cc(Cl)c2ccccc12 ZINC000184838939 333367909 /nfs/dbraw/zinc/36/79/09/333367909.db2.gz YQAHJQIPAALAOT-UHFFFAOYSA-N -1 0 323.739 4.311 20 0 DIADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccoc1C1CC1 ZINC000337003642 333435482 /nfs/dbraw/zinc/43/54/82/333435482.db2.gz WFFZUMSUCXMVGY-UHFFFAOYSA-N -1 0 312.152 4.422 20 0 DIADRM CCSc1cccc(F)c1[N-]C(=O)c1c(C)onc1C1CC1 ZINC000410878815 333602288 /nfs/dbraw/zinc/60/22/88/333602288.db2.gz HUCAHWYBZRTXNL-UHFFFAOYSA-N -1 0 320.389 4.364 20 0 DIADRM CSc1cc(C)c(-c2ccccc2OCCCC(=O)[O-])cn1 ZINC000563436996 333605600 /nfs/dbraw/zinc/60/56/00/333605600.db2.gz CIXAJPUVZZKHKD-UHFFFAOYSA-N -1 0 317.410 4.023 20 0 DIADRM Cc1cc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1C(=O)[O-] ZINC000571146165 333668690 /nfs/dbraw/zinc/66/86/90/333668690.db2.gz JRPLCLMRQYQIOT-GHMZBOCLSA-N -1 0 301.308 4.226 20 0 DIADRM Cc1ccc(NCc2ccccc2OCC2CC2)cc1C(=O)[O-] ZINC000571467913 333792229 /nfs/dbraw/zinc/79/22/29/333792229.db2.gz KZXQWTFCYMQDHI-UHFFFAOYSA-N -1 0 311.381 4.094 20 0 DIADRM Cc1sc2nc(-c3c[nH]c(C(=O)[O-])c3)cc(C3CC3)c2c1C ZINC000343478185 335168285 /nfs/dbraw/zinc/16/82/85/335168285.db2.gz PSDSUJSUUVDDOR-UHFFFAOYSA-N -1 0 312.394 4.484 20 0 DIADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436798850 334000808 /nfs/dbraw/zinc/00/08/08/334000808.db2.gz WCTCACUNKNPCEG-YGRLFVJLSA-N -1 0 313.800 4.226 20 0 DIADRM CC[C@H](C)[C@@H](C)N(C(=O)c1cc(F)c([O-])c(Cl)c1)C1CC1 ZINC000436858546 334008769 /nfs/dbraw/zinc/00/87/69/334008769.db2.gz OGMUKMMTPRTYAN-VHSXEESVSA-N -1 0 313.800 4.224 20 0 DIADRM CC1(C)CCN(C(=O)c2ccc([O-])c(Cl)c2)c2ccccc21 ZINC000436931350 334017862 /nfs/dbraw/zinc/01/78/62/334017862.db2.gz BHBUBMBXCCOTIW-UHFFFAOYSA-N -1 0 315.800 4.374 20 0 DIADRM Cc1oc([C@H](C)[N@H+](C)Cc2cccc(Cl)c2)cc1C(=O)[O-] ZINC000571650001 334030368 /nfs/dbraw/zinc/03/03/68/334030368.db2.gz ZVWWTUPPSXNXTG-JTQLQIEISA-N -1 0 307.777 4.133 20 0 DIADRM CCCCOc1ccccc1CNc1cccc(CC(=O)[O-])c1 ZINC000414684502 334068499 /nfs/dbraw/zinc/06/84/99/334068499.db2.gz RAEUVQRRFCWOTO-UHFFFAOYSA-N -1 0 313.397 4.105 20 0 DIADRM C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1O ZINC000534493650 334277575 /nfs/dbraw/zinc/27/75/75/334277575.db2.gz HTIZGYZIQBXWSS-JTQLQIEISA-N -1 0 307.752 4.002 20 0 DIADRM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000048652555 334290998 /nfs/dbraw/zinc/29/09/98/334290998.db2.gz SSVMYMCNJJPFSB-UHFFFAOYSA-N -1 0 316.209 4.103 20 0 DIADRM Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000110987078 334298856 /nfs/dbraw/zinc/29/88/56/334298856.db2.gz XHGLVOYCKCQEHJ-UHFFFAOYSA-N -1 0 324.163 4.252 20 0 DIADRM Cc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1C(=O)[O-] ZINC000110987804 334298991 /nfs/dbraw/zinc/29/89/91/334298991.db2.gz WADIKSGAOVRLOR-UHFFFAOYSA-N -1 0 324.163 4.252 20 0 DIADRM O=C(Nc1cccc(Cl)c1[O-])[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000534699715 334328410 /nfs/dbraw/zinc/32/84/10/334328410.db2.gz HJANQTFPEYQILC-BDAKNGLRSA-N -1 0 321.726 4.353 20 0 DIADRM [O-]c1ccc(Cl)cc1-c1nc(-c2ccccc2Cl)no1 ZINC000111688147 334353509 /nfs/dbraw/zinc/35/35/09/334353509.db2.gz LOGHHPUSLLYKFU-UHFFFAOYSA-N -1 0 307.136 4.416 20 0 DIADRM Cc1ccc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)cc1F ZINC000111686703 334353557 /nfs/dbraw/zinc/35/35/57/334353557.db2.gz DBQQMYCHIFWNDX-UHFFFAOYSA-N -1 0 304.708 4.210 20 0 DIADRM Cc1cc(-c2noc(-c3ccc(Cl)cc3[O-])n2)ccc1F ZINC000111688066 334353562 /nfs/dbraw/zinc/35/35/62/334353562.db2.gz BSCOQJYNQYKWPD-UHFFFAOYSA-N -1 0 304.708 4.210 20 0 DIADRM [O-]c1ccc(Cl)cc1-c1nc(Cc2cccc(Cl)c2)no1 ZINC000111687633 334353608 /nfs/dbraw/zinc/35/36/08/334353608.db2.gz KBAIIQPTVQPOSO-UHFFFAOYSA-N -1 0 321.163 4.340 20 0 DIADRM Cc1cc(-c2noc(-c3cc(Cl)ccc3[O-])n2)ccc1F 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C[C@@H](C1CCCCC1)N(C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436636599 338281002 /nfs/dbraw/zinc/28/10/02/338281002.db2.gz ROZDSKRXOHEQFS-JTQLQIEISA-N -1 0 313.800 4.226 20 0 DIADRM CCC[C@@]1(C)CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000436638372 338281023 /nfs/dbraw/zinc/28/10/23/338281023.db2.gz HJBQFXQEZHQQAM-INIZCTEOSA-N -1 0 313.800 4.227 20 0 DIADRM CCC(=O)c1ccc([O-])c(NC(=O)C2CCC(C)(C)CC2)c1 ZINC000436651731 338281402 /nfs/dbraw/zinc/28/14/02/338281402.db2.gz HLHUBIFAUGUXGF-UHFFFAOYSA-N -1 0 303.402 4.140 20 0 DIADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(C)cc2Cl)c1 ZINC000436651540 338281492 /nfs/dbraw/zinc/28/14/92/338281492.db2.gz GHRVMQPPQOWXSQ-UHFFFAOYSA-N -1 0 317.772 4.199 20 0 DIADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C)cc(Cl)c2)c1 ZINC000436654285 338281626 /nfs/dbraw/zinc/28/16/26/338281626.db2.gz WUWBLCVSZHESGK-UHFFFAOYSA-N -1 0 317.772 4.199 20 0 DIADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cccc(C)c2Cl)c1 ZINC000436652799 338281676 /nfs/dbraw/zinc/28/16/76/338281676.db2.gz 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/nfs/dbraw/zinc/28/46/56/338284656.db2.gz CRRXHFLIZVAMJI-HZPDHXFCSA-N -1 0 301.430 4.166 20 0 DIADRM [O-]c1cc(Cl)c(-c2nc3cc(Cl)cnc3[nH]2)cc1Cl ZINC000436740814 338284799 /nfs/dbraw/zinc/28/47/99/338284799.db2.gz RMBZPPNSSSZGFY-UHFFFAOYSA-N -1 0 314.559 4.291 20 0 DIADRM CC(C)CN(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436760968 338286237 /nfs/dbraw/zinc/28/62/37/338286237.db2.gz GKOYPQZRVWUQFA-UHFFFAOYSA-N -1 0 317.816 4.441 20 0 DIADRM CCN(CC(C)C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436765367 338286297 /nfs/dbraw/zinc/28/62/97/338286297.db2.gz AKBOTAFWMFALNK-UHFFFAOYSA-N -1 0 305.805 4.317 20 0 DIADRM CC(C)OCc1cccc(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436763458 338286452 /nfs/dbraw/zinc/28/64/52/338286452.db2.gz GPSZWNGWIPBLDP-UHFFFAOYSA-N -1 0 319.788 4.223 20 0 DIADRM CCCCN(CCCC)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436769349 338286568 /nfs/dbraw/zinc/28/65/68/338286568.db2.gz ILGWWMFLCJABNG-UHFFFAOYSA-N -1 0 301.789 4.227 20 0 DIADRM C[C@@H](CN(C)C(=O)c1cc(F)cc(Cl)c1[O-])c1ccccc1 ZINC000436776860 338287027 /nfs/dbraw/zinc/28/70/27/338287027.db2.gz KUDMEKUPEACHGT-NSHDSACASA-N -1 0 321.779 4.060 20 0 DIADRM CC(C)c1ccccc1N(C)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436782993 338287063 /nfs/dbraw/zinc/28/70/63/338287063.db2.gz KGQSSUHXTNCTJR-UHFFFAOYSA-N -1 0 305.324 4.070 20 0 DIADRM CO[C@H](C)c1cccc(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000436794286 338287680 /nfs/dbraw/zinc/28/76/80/338287680.db2.gz VBYLIPZJWZPDTB-SNVBAGLBSA-N -1 0 305.761 4.005 20 0 DIADRM CCC(=O)c1ccc([O-])c(NC(=O)C/C=C\c2ccc(C)cc2)c1 ZINC000436834242 338289138 /nfs/dbraw/zinc/28/91/38/338289138.db2.gz LMEMLFGZJUMASX-PLNGDYQASA-N -1 0 323.392 4.335 20 0 DIADRM CC[C@@H](C)[C@@H](C)N(C(=O)c1cc(F)c([O-])c(Cl)c1)C1CC1 ZINC000436858544 338290180 /nfs/dbraw/zinc/29/01/80/338290180.db2.gz OGMUKMMTPRTYAN-NXEZZACHSA-N -1 0 313.800 4.224 20 0 DIADRM CC[C@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccccc1 ZINC000436860988 338290336 /nfs/dbraw/zinc/29/03/36/338290336.db2.gz AAMPPOROGZXOHW-LLVKDONJSA-N -1 0 321.779 4.108 20 0 DIADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC(C2CCC2)C1 ZINC000436862681 338290415 /nfs/dbraw/zinc/29/04/15/338290415.db2.gz FZSPKTOGPASSMQ-UHFFFAOYSA-N -1 0 315.800 4.071 20 0 DIADRM CC(=O)c1ccc([O-])c(NC(=O)c2cccc(Cl)c2Cl)c1 ZINC000436873879 338290957 /nfs/dbraw/zinc/29/09/57/338290957.db2.gz TZAVWPMSTCGTDP-UHFFFAOYSA-N -1 0 324.163 4.154 20 0 DIADRM O=C(NCc1ccc2ccccc2c1)c1ccc([O-])c(Cl)c1 ZINC000436891348 338292166 /nfs/dbraw/zinc/29/21/66/338292166.db2.gz GCBRASUGIUAJAY-UHFFFAOYSA-N -1 0 311.768 4.129 20 0 DIADRM Cc1ccc(O)c(-c2nc(-c3cccc(OC(C)C)c3)no2)c1 ZINC000436914163 338293227 /nfs/dbraw/zinc/29/32/27/338293227.db2.gz IFLDGDPUNKVLLF-UHFFFAOYSA-N -1 0 310.353 4.205 20 0 DIADRM C[C@H](Oc1ccccc1)c1noc(-c2ccc(Cl)cc2[O-])n1 ZINC000436930076 338294031 /nfs/dbraw/zinc/29/40/31/338294031.db2.gz GWAJPGKXCJLRIX-JTQLQIEISA-N -1 0 316.744 4.236 20 0 DIADRM CC(C)C1(C)CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000436931461 338294328 /nfs/dbraw/zinc/29/43/28/338294328.db2.gz JRCLQRZZKMAMTE-UHFFFAOYSA-N 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O=C([O-])CC1(CC(=O)Nc2ccc(C3CCC3)cc2)CCCC1 ZINC000447119658 338545868 /nfs/dbraw/zinc/54/58/68/338545868.db2.gz BZLVUSYQXNJATC-UHFFFAOYSA-N -1 0 315.413 4.318 20 0 DIADRM C[C@H](N=c1nc(-c2ccccc2)[n-]s1)c1ccc(F)cc1F ZINC000461443260 339063964 /nfs/dbraw/zinc/06/39/64/339063964.db2.gz NDVWDSMNCJMYFI-JTQLQIEISA-N -1 0 317.364 4.078 20 0 DIADRM CC(C)c1ccsc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000467934960 339249558 /nfs/dbraw/zinc/24/95/58/339249558.db2.gz GUZLQMZRSSFBFE-UHFFFAOYSA-N -1 0 317.410 4.141 20 0 DIADRM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)CCCc1ccc(O)c(F)c1 ZINC000468859050 339272908 /nfs/dbraw/zinc/27/29/08/339272908.db2.gz HGTDLIPWPJUGTR-RDJZCZTQSA-N -1 0 321.436 4.185 20 0 DIADRM Cc1cc(/C=C\c2ncc(C(=O)[O-])s2)ccc1Br ZINC000470874008 339329939 /nfs/dbraw/zinc/32/99/39/339329939.db2.gz NZZVBBLZRCROIE-HYXAFXHYSA-N -1 0 324.199 4.083 20 0 DIADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc2ccccc2o1 ZINC000471985807 339358757 /nfs/dbraw/zinc/35/87/57/339358757.db2.gz UKLDTOAMXFLLJU-UHFFFAOYSA-N -1 0 309.321 4.000 20 0 DIADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc(Cl)ccc1F ZINC000471991827 339358881 /nfs/dbraw/zinc/35/88/81/339358881.db2.gz KSMMJIOTXYXMKB-UHFFFAOYSA-N -1 0 321.735 4.046 20 0 DIADRM Cc1cccc([C@H](C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000471997108 339358946 /nfs/dbraw/zinc/35/89/46/339358946.db2.gz BKOKOFIMNRCGGT-AWEZNQCLSA-N -1 0 311.381 4.052 20 0 DIADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000472002764 339359119 /nfs/dbraw/zinc/35/91/19/339359119.db2.gz ONAFKINKZAEQPU-BXUZGUMPSA-N -1 0 303.402 4.157 20 0 DIADRM Cc1cccc2cc(C(=O)Nc3cc(F)cc(Cl)c3[O-])oc21 ZINC000474427275 339414030 /nfs/dbraw/zinc/41/40/30/339414030.db2.gz OUERFNVNJRXXLP-UHFFFAOYSA-N -1 0 319.719 4.492 20 0 DIADRM Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c(F)cc1F ZINC000474432858 339414334 /nfs/dbraw/zinc/41/43/34/339414334.db2.gz LMIMMNUPMNZGNA-UHFFFAOYSA-N -1 0 315.678 4.024 20 0 DIADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(C2CC2)c(C)c1 ZINC000479562970 339541411 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321.163 4.340 20 0 DIADRM [O-]c1ccc(-c2nnc(Cc3ccccc3Cl)o2)cc1Cl ZINC001254336381 1062078217 /nfs/dbraw/zinc/07/82/17/1062078217.db2.gz XFOPLDAOJMHHBN-UHFFFAOYSA-N -1 0 321.163 4.340 20 0 DIADRM O=C(Nc1cccc2cc[nH]c21)c1cccc(C(F)(F)F)c1[O-] ZINC001467341347 1062111936 /nfs/dbraw/zinc/11/19/36/1062111936.db2.gz HNYVQEZOEWHPOU-UHFFFAOYSA-N -1 0 320.270 4.145 20 0 DIADRM O=C(NOC1CCCCC1)c1cc(Cl)c2ccccc2c1[O-] ZINC001467347134 1062115033 /nfs/dbraw/zinc/11/50/33/1062115033.db2.gz PDMRWQMMELSMNW-UHFFFAOYSA-N -1 0 319.788 4.193 20 0 DIADRM CCCC1CCC(N(C)C(=O)c2cc(F)cc(F)c2[O-])CC1 ZINC001467748360 1062199912 /nfs/dbraw/zinc/19/99/12/1062199912.db2.gz OUOGHPAYPLQTGB-UHFFFAOYSA-N -1 0 311.372 4.101 20 0 DIADRM CCCc1ccc(S(=O)(=O)[N-]c2csc(Cl)c2)cc1 ZINC001255152321 1062344234 /nfs/dbraw/zinc/34/42/34/1062344234.db2.gz NISZMGUURKSVCM-UHFFFAOYSA-N -1 0 315.847 4.155 20 0 DIADRM CC(C)c1ccc(S(=O)(=O)Nc2ccccc2C2CC2)cc1 ZINC001255263055 1062367700 /nfs/dbraw/zinc/36/77/00/1062367700.db2.gz 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Cc1ccc(N(CC2CC2)C(=O)c2c([O-])cccc2F)cc1F ZINC001470875982 1062878513 /nfs/dbraw/zinc/87/85/13/1062878513.db2.gz PODURLJALJMYRB-UHFFFAOYSA-N -1 0 317.335 4.036 20 0 DIADRM O=S(=O)([N-]c1cccc2sccc21)c1cccc(Cl)c1 ZINC001256804730 1062991727 /nfs/dbraw/zinc/99/17/27/1062991727.db2.gz XRVXMSYXHCVNJA-UHFFFAOYSA-N -1 0 323.826 4.356 20 0 DIADRM C[C@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)[C@@H]1c1ccccc1 ZINC001471803314 1063024392 /nfs/dbraw/zinc/02/43/92/1063024392.db2.gz NPSPQCKZRCNYIT-SJCJKPOMSA-N -1 0 315.800 4.269 20 0 DIADRM CC(C)(CNC(=O)c1cc(Cl)c2ccccc2c1[O-])C1CC1 ZINC001472145197 1063051685 /nfs/dbraw/zinc/05/16/85/1063051685.db2.gz ZVUGITVHIMDSJD-UHFFFAOYSA-N -1 0 317.816 4.365 20 0 DIADRM CC(C)Oc1ccc(-c2nnc(-c3c([O-])cccc3F)o2)cc1 ZINC001256921125 1063052808 /nfs/dbraw/zinc/05/28/08/1063052808.db2.gz HCYXGFIHXSGVSE-UHFFFAOYSA-N -1 0 314.316 4.036 20 0 DIADRM C[C@@H](NC(=O)c1cc(F)cc(Cl)c1[O-])C1CCCCCC1 ZINC001472542989 1063099697 /nfs/dbraw/zinc/09/96/97/1063099697.db2.gz 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ZINC001260685382 1063901278 /nfs/dbraw/zinc/90/12/78/1063901278.db2.gz HMBPSIDTEXWKDF-UHFFFAOYSA-N -1 0 317.435 4.319 20 0 DIADRM Cc1ccc(S(=O)(=O)[N-]c2cc3ccccc3s2)s1 ZINC001260678670 1063902003 /nfs/dbraw/zinc/90/20/03/1063902003.db2.gz GSYDQRCRGVONIY-UHFFFAOYSA-N -1 0 309.437 4.072 20 0 DIADRM O=S(=O)([N-]c1ccco1)c1ccc(C2CCCCC2)cc1 ZINC001260986290 1063906911 /nfs/dbraw/zinc/90/69/11/1063906911.db2.gz KPNZREBPXBQTAL-UHFFFAOYSA-N -1 0 305.399 4.128 20 0 DIADRM CN=c1[n-]nc(SCc2c(C)cc(C(C)(C)C)cc2C)s1 ZINC000385294955 1064011126 /nfs/dbraw/zinc/01/11/26/1064011126.db2.gz HQEXULNZACOPGB-UHFFFAOYSA-N -1 0 321.515 4.208 20 0 DIADRM CC(C)(C)C[C@@H](NC(=O)c1cccc(F)c1[O-])c1ccccc1 ZINC001264544501 1064110528 /nfs/dbraw/zinc/11/05/28/1064110528.db2.gz NJBCLWZWRINQGP-MRXNPFEDSA-N -1 0 315.388 4.439 20 0 DIADRM Cc1ccc(Nc2ccc(C(F)(F)F)cc2C#N)cc1C(=O)[O-] ZINC000390014059 1064144647 /nfs/dbraw/zinc/14/46/47/1064144647.db2.gz PHWQGOGVQHTLIQ-UHFFFAOYSA-N -1 0 320.270 4.327 20 0 DIADRM Cc1cc(C(=O)[O-])ccc1Nc1ccc(C(F)(F)F)cc1C#N ZINC000391163338 1064179999 /nfs/dbraw/zinc/17/99/99/1064179999.db2.gz CEIMAKNAFLYXPJ-UHFFFAOYSA-N -1 0 320.270 4.327 20 0 DIADRM O=C(N[C@@H](c1ccccc1)C1CCC1)c1cccc(Cl)c1[O-] ZINC001265015839 1064182916 /nfs/dbraw/zinc/18/29/16/1064182916.db2.gz DNBDPNBBJBCUJW-INIZCTEOSA-N -1 0 315.800 4.317 20 0 DIADRM CCN(C(=O)c1cc(F)cc(F)c1[O-])[C@H](C)c1ccc(F)cc1 ZINC001291770014 1064744113 /nfs/dbraw/zinc/74/41/13/1064744113.db2.gz QGMLPZTXDBLZSA-SNVBAGLBSA-N -1 0 323.314 4.033 20 0 DIADRM CCc1c([N-]c2nc(CC(C)C)ns2)cnn1CCC(C)C ZINC001307094119 1064745864 /nfs/dbraw/zinc/74/58/64/1064745864.db2.gz OSDXHNGSFJQSTA-UHFFFAOYSA-N -1 0 321.494 4.285 20 0 DIADRM C[C@@H](NC(=O)c1ccc(Cl)c([O-])c1)C(C)(C)c1ccccc1 ZINC001292725427 1064784857 /nfs/dbraw/zinc/78/48/57/1064784857.db2.gz XQDLCKLWNAJVIS-GFCCVEGCSA-N -1 0 317.816 4.142 20 0 DIADRM CN(C(=O)c1ccc2oc(=S)[n-]c2c1)C1CCCCCCC1 ZINC001292697146 1064784984 /nfs/dbraw/zinc/78/49/84/1064784984.db2.gz VFYLNLPNGIKGCF-UHFFFAOYSA-N -1 0 318.442 4.301 20 0 DIADRM O=C(NCCCCCc1ccccc1)c1ccc(Cl)c([O-])c1 ZINC001292745231 1064786157 /nfs/dbraw/zinc/78/61/57/1064786157.db2.gz DUSPASRKLGKTDN-UHFFFAOYSA-N -1 0 317.816 4.188 20 0 DIADRM CSc1ccc(O)c(C(=O)N[C@H](C)c2cc(C)cc(C)c2)c1 ZINC001293116408 1064799605 /nfs/dbraw/zinc/79/96/05/1064799605.db2.gz VPQKFHOXKMTWII-CYBMUJFWSA-N -1 0 315.438 4.222 20 0 DIADRM Cc1cccc([C@@H](C)NC(=O)c2ccc(Cl)c([O-])c2)c1C ZINC001293295871 1064807440 /nfs/dbraw/zinc/80/74/40/1064807440.db2.gz SDKPCKKDTYQFGQ-GFCCVEGCSA-N -1 0 303.789 4.153 20 0 DIADRM CCCn1ccc2ccc(NC(=O)c3c([O-])cccc3F)cc21 ZINC001293966157 1064842394 /nfs/dbraw/zinc/84/23/94/1064842394.db2.gz GEQJELDYLPQLGI-UHFFFAOYSA-N -1 0 312.344 4.148 20 0 DIADRM CCc1ccc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)c(O)c1 ZINC001294441464 1064868380 /nfs/dbraw/zinc/86/83/80/1064868380.db2.gz SBWWTEQSTJNWHJ-CRAIPNDOSA-N -1 0 323.436 4.048 20 0 DIADRM CCc1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)c(O)c1 ZINC001294441467 1064868408 /nfs/dbraw/zinc/86/84/08/1064868408.db2.gz SBWWTEQSTJNWHJ-YJBOKZPZSA-N -1 0 323.436 4.048 20 0 DIADRM Cc1ccccc1[C@H](NC(=O)c1ccc(F)c(O)c1)C(C)(C)C ZINC001294439685 1064868539 /nfs/dbraw/zinc/86/85/39/1064868539.db2.gz ZICRUVFDSOTZIT-KRWDZBQOSA-N -1 0 315.388 4.357 20 0 DIADRM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC001294652721 1064878226 /nfs/dbraw/zinc/87/82/26/1064878226.db2.gz JVHDJUJSNONXLZ-QWRGUYRKSA-N -1 0 304.415 4.271 20 0 DIADRM CC1(C)C[C@H](NC(=O)c2ccc(Cl)c([O-])c2)c2ccccc21 ZINC001294740139 1064882763 /nfs/dbraw/zinc/88/27/63/1064882763.db2.gz CFCRUYDERVPNEM-HNNXBMFYSA-N -1 0 315.800 4.198 20 0 DIADRM O=C(Nc1cc(F)cc(Cl)c1)c1ccc(Cl)c([O-])c1 ZINC001295005034 1064894453 /nfs/dbraw/zinc/89/44/53/1064894453.db2.gz YYGURIDJLPYXLE-UHFFFAOYSA-N -1 0 300.116 4.090 20 0 DIADRM C[C@@H]1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@@H]1C ZINC001295081536 1064899891 /nfs/dbraw/zinc/89/98/91/1064899891.db2.gz QZXUSIPEHZTQEW-NEPJUHHUSA-N -1 0 317.816 4.317 20 0 DIADRM C[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC[C@@H]1C ZINC001295081540 1064900155 /nfs/dbraw/zinc/90/01/55/1064900155.db2.gz QZXUSIPEHZTQEW-RYUDHWBXSA-N -1 0 317.816 4.317 20 0 DIADRM CC1(C)CC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001295155045 1064903422 /nfs/dbraw/zinc/90/34/22/1064903422.db2.gz WEKRKZPARXRYQB-VIFPVBQESA-N -1 0 302.201 4.008 20 0 DIADRM CC(C)[C@@H]1CCCCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC001295676452 1064923932 /nfs/dbraw/zinc/92/39/32/1064923932.db2.gz HBZRAQPWSASHTJ-AWEZNQCLSA-N -1 0 318.442 4.157 20 0 DIADRM O=C(Nc1cccc(Cl)c1[O-])c1cscc1C(F)F ZINC001295827523 1064927979 /nfs/dbraw/zinc/92/79/79/1064927979.db2.gz DIQJENADJHXYFT-UHFFFAOYSA-N -1 0 303.717 4.297 20 0 DIADRM CC/C=C(/F)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC001295847460 1064930466 /nfs/dbraw/zinc/93/04/66/1064930466.db2.gz MZTYDNDLOFOSFR-FPYGCLRLSA-N -1 0 322.561 4.010 20 0 DIADRM O=C(c1ccc(Cl)c([O-])c1)N1CCCC[C@H]1c1ccccc1 ZINC001296044680 1064935818 /nfs/dbraw/zinc/93/58/18/1064935818.db2.gz APKKKZPYZMPYQF-INIZCTEOSA-N -1 0 315.800 4.413 20 0 DIADRM CC[C@H](Cc1ccccc1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC001296792073 1064961790 /nfs/dbraw/zinc/96/17/90/1064961790.db2.gz HTCKPZGFXOKKOZ-GFCCVEGCSA-N -1 0 321.779 4.392 20 0 DIADRM Cc1cc(C(F)F)oc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC001297613833 1064985220 /nfs/dbraw/zinc/98/52/20/1064985220.db2.gz SOYUEFYTCRCUNN-UHFFFAOYSA-N -1 0 319.666 4.276 20 0 DIADRM CC(C)c1ccccc1N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC001298856350 1065023888 /nfs/dbraw/zinc/02/38/88/1065023888.db2.gz XUHLCDZGUIXXSZ-UHFFFAOYSA-N -1 0 320.392 4.340 20 0 DIADRM C[C@@H]1CCc2c(C(=O)Nc3ccc(F)c(F)c3[O-])csc2C1 ZINC001299041488 1065030019 /nfs/dbraw/zinc/03/00/19/1065030019.db2.gz USXKFQYTQGAUBY-MRVPVSSYSA-N -1 0 323.364 4.109 20 0 DIADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2c([O-])cccc2F)C1 ZINC001299765388 1065033149 /nfs/dbraw/zinc/03/31/49/1065033149.db2.gz MFTHJNRGGRLTMC-HNNXBMFYSA-N -1 0 313.372 4.145 20 0 DIADRM CC1(C)CCC(C)(C)N(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC001301073353 1065051906 /nfs/dbraw/zinc/05/19/06/1065051906.db2.gz MFTLHZCWPGEIEL-UHFFFAOYSA-N -1 0 318.442 4.157 20 0 DIADRM O=C(c1cc(F)cc(F)c1[O-])N1CCC[C@@H](C2CCCCC2)C1 ZINC001301407858 1065064745 /nfs/dbraw/zinc/06/47/45/1065064745.db2.gz RIMZGSOPSAWUJJ-CYBMUJFWSA-N -1 0 323.383 4.103 20 0 DIADRM Cc1cccc([C@H](NC(=O)c2ccc(Cl)c([O-])c2)C(C)C)c1 ZINC001302172012 1065080613 /nfs/dbraw/zinc/08/06/13/1065080613.db2.gz NSZZYFGDLRJTBI-QGZVFWFLSA-N -1 0 317.816 4.481 20 0 DIADRM CC(C)(C)c1ccccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC001302753187 1065099169 /nfs/dbraw/zinc/09/91/69/1065099169.db2.gz NEZIJFKSKRBUHH-UHFFFAOYSA-N -1 0 323.314 4.359 20 0 DIADRM CC[C@@H](C)c1cccc(NC(=O)c2c([O-])cc(F)cc2F)c1 ZINC001306878744 1065198816 /nfs/dbraw/zinc/19/88/16/1065198816.db2.gz WSKCTEASZTZAMP-SNVBAGLBSA-N -1 0 305.324 4.436 20 0 DIADRM COc1cc(C(F)(F)F)ccc1-c1ccsc1C(=O)[O-] ZINC000757565428 1066555642 /nfs/dbraw/zinc/55/56/42/1066555642.db2.gz DQDZRCXAOCWYNR-UHFFFAOYSA-N -1 0 302.273 4.141 20 0 DIADRM CCSCC[C@H](C)N(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000080431486 192157543 /nfs/dbraw/zinc/15/75/43/192157543.db2.gz RVBZWFLGIVZTRM-JTQLQIEISA-N -1 0 324.471 4.094 20 0 DIADRM O=C([O-])C/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2o1 ZINC000005798223 181285220 /nfs/dbraw/zinc/28/52/20/181285220.db2.gz FWGQFLOXKPFMKA-FMIVXFBMSA-N -1 0 313.740 4.497 20 0 DIADRM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000006328557 181330219 /nfs/dbraw/zinc/33/02/19/181330219.db2.gz ALTKOSQVHHVJMC-UHFFFAOYSA-N -1 0 316.209 4.103 20 0 DIADRM CSc1ccc(CNc2ccc(CCCC(=O)[O-])cc2)s1 ZINC000417592520 335000023 /nfs/dbraw/zinc/00/00/23/335000023.db2.gz GXQLLJBKOMDYRD-UHFFFAOYSA-N -1 0 321.467 4.489 20 0 DIADRM Cc1ccc(F)c(CNc2ccc([C@H](C)CC(=O)[O-])cc2)c1 ZINC000417606413 335006688 /nfs/dbraw/zinc/00/66/88/335006688.db2.gz DWUYQCRLQMTUMB-CYBMUJFWSA-N -1 0 301.361 4.324 20 0 DIADRM CC[C@H](Cc1ccc(NCc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000417607079 335006959 /nfs/dbraw/zinc/00/69/59/335006959.db2.gz GABZRRLJZZWQBU-CQSZACIVSA-N -1 0 319.351 4.230 20 0 DIADRM CC[C@@H](Cc1ccc(NCc2cccc3[nH]ccc32)cc1)C(=O)[O-] ZINC000417611306 335010932 /nfs/dbraw/zinc/01/09/32/335010932.db2.gz OUNAPYPWMBXNBR-HNNXBMFYSA-N -1 0 322.408 4.433 20 0 DIADRM Cc1ccc(F)cc1CNc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000417609327 335007751 /nfs/dbraw/zinc/00/77/51/335007751.db2.gz KNZGYMVJBXCMEE-ZDUSSCGKSA-N -1 0 301.361 4.324 20 0 DIADRM CC(C)c1cnc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)s1 ZINC000417615477 335008706 /nfs/dbraw/zinc/00/87/06/335008706.db2.gz XSFNFFKXIUUXHM-GFCCVEGCSA-N -1 0 318.442 4.142 20 0 DIADRM Cc1ccc(CNc2ccccc2CCCC(=O)[O-])cc1F ZINC000417617328 335009582 /nfs/dbraw/zinc/00/95/82/335009582.db2.gz FQXKDNZVIFVYHF-UHFFFAOYSA-N -1 0 301.361 4.154 20 0 DIADRM COCc1ccc(CNc2ccc([C@H](C)CC(=O)[O-])cc2)cc1 ZINC000417610183 335010231 /nfs/dbraw/zinc/01/02/31/335010231.db2.gz MSYRLKNSFGGTOL-CQSZACIVSA-N -1 0 313.397 4.023 20 0 DIADRM CC[C@H](Cc1ccc(NCc2ccc(Cl)o2)cc1)C(=O)[O-] ZINC000417614003 335011604 /nfs/dbraw/zinc/01/16/04/335011604.db2.gz UYRJRCWQDVUAIZ-GFCCVEGCSA-N -1 0 307.777 4.198 20 0 DIADRM COC1(CNc2ccc([C@H](C)CC(=O)[O-])cc2)CCCCC1 ZINC000417614360 335011775 /nfs/dbraw/zinc/01/17/75/335011775.db2.gz VHWSBMOKTMIOPK-CQSZACIVSA-N -1 0 305.418 4.026 20 0 DIADRM CC(C)c1ncc(CNc2ccccc2CCCC(=O)[O-])s1 ZINC000417620719 335014281 /nfs/dbraw/zinc/01/42/81/335014281.db2.gz JQGUKWYNIXSGDL-UHFFFAOYSA-N -1 0 318.442 4.286 20 0 DIADRM CCCc1csc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)n1 ZINC000417631159 335019116 /nfs/dbraw/zinc/01/91/16/335019116.db2.gz VIFMKMGWZAXTES-UHFFFAOYSA-N -1 0 318.442 4.070 20 0 DIADRM O=C(Nc1ccccc1O)c1cccc(Oc2ccccc2)c1 ZINC000016483007 182046562 /nfs/dbraw/zinc/04/65/62/182046562.db2.gz IXUGMNIGTYWEED-UHFFFAOYSA-N -1 0 305.333 4.437 20 0 DIADRM Cc1cc(CNc2ccc(S[C@H](C)C(=O)[O-])cc2)cs1 ZINC000417660163 335032312 /nfs/dbraw/zinc/03/23/12/335032312.db2.gz PYWNDEVRUXJHMA-LLVKDONJSA-N -1 0 307.440 4.234 20 0 DIADRM O=C(Nc1cccc(Cl)c1[O-])[C@@H]1CCCc2sccc21 ZINC000340319771 131396440 /nfs/dbraw/zinc/39/64/40/131396440.db2.gz TZWAIYBDUVEINK-SNVBAGLBSA-N -1 0 307.802 4.166 20 0 DIADRM Cc1cc(Cl)c(C(=O)[O-])cc1NC(=O)N1[C@H](C)CCC[C@H]1C ZINC000297118382 132000808 /nfs/dbraw/zinc/00/08/08/132000808.db2.gz GIYPTPPFXVGXIY-GHMZBOCLSA-N -1 0 324.808 4.141 20 0 DIADRM Cc1cc(C)c(C(=O)[O-])cc1NCc1cccc2cccnc21 ZINC000340683388 132148232 /nfs/dbraw/zinc/14/82/32/132148232.db2.gz VIJJYORYCSOROQ-UHFFFAOYSA-N -1 0 306.365 4.162 20 0 DIADRM COCCCC[C@H](N=c1nc(C(C)C)[n-]s1)c1ccccc1 ZINC000530485030 331492634 /nfs/dbraw/zinc/49/26/34/331492634.db2.gz GAIGMENJLPQYBD-HNNXBMFYSA-N -1 0 319.474 4.053 20 0 DIADRM CSc1cc(C(=O)Nc2cccc(Cl)c2[O-])ccc1F ZINC000179800813 331542637 /nfs/dbraw/zinc/54/26/37/331542637.db2.gz IBTZSHZGXWLAAM-UHFFFAOYSA-N -1 0 311.765 4.159 20 0 DIADRM O=C([O-])c1cccc(-c2nc(CC[C@@H]3CCCCO3)cs2)c1 ZINC000580036197 331667341 /nfs/dbraw/zinc/66/73/41/331667341.db2.gz JFKPRRREFYQKGX-HNNXBMFYSA-N -1 0 317.410 4.010 20 0 DIADRM C[C@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccccc1 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O=C(Nc1cccc(Cl)c1[O-])[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000077012186 341217163 /nfs/dbraw/zinc/21/71/63/341217163.db2.gz NVUXPPRMWQPYCJ-IUCAKERBSA-N -1 0 323.726 4.066 20 0 DIADRM Cc1ccc([C@H]2CCCCN2C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000237655220 341217382 /nfs/dbraw/zinc/21/73/82/341217382.db2.gz YEGBBPJSZRXRGD-GOSISDBHSA-N -1 0 323.392 4.061 20 0 DIADRM O=C([O-])c1cc2cc(NC(=O)C3CCCCC3)ccc2s1 ZINC000238206694 341227713 /nfs/dbraw/zinc/22/77/13/341227713.db2.gz UBDTVIIPEGEHDJ-UHFFFAOYSA-N -1 0 303.383 4.118 20 0 DIADRM Cc1cc(NC(=O)CC2(C(=O)[O-])CCCCC2)ccc1C1CC1 ZINC000548465904 341262061 /nfs/dbraw/zinc/26/20/61/341262061.db2.gz XATMFMACQWZCGM-UHFFFAOYSA-N -1 0 315.413 4.236 20 0 DIADRM Cc1ccc2[nH]c(CNc3cccc(C(=O)[O-])c3C)cc2c1C ZINC000551055348 341330353 /nfs/dbraw/zinc/33/03/53/341330353.db2.gz MLCRBSVDQYNVEF-UHFFFAOYSA-N -1 0 308.381 4.403 20 0 DIADRM Cc1ccc(NCc2ncc(-c3ccccc3)s2)cc1C(=O)[O-] ZINC000551056769 341330473 /nfs/dbraw/zinc/33/04/73/341330473.db2.gz LFDIVTODSAPVLA-UHFFFAOYSA-N 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/nfs/dbraw/zinc/19/56/17/1065195617.db2.gz RTTWKKAXVDHBTC-UHFFFAOYSA-N -1 0 316.228 4.111 20 0 DIADRM CC(C)(C)C1CCC(CNC(=O)c2ccc(F)cc2[O-])CC1 ZINC001306710412 1065190905 /nfs/dbraw/zinc/19/09/05/1065190905.db2.gz LSSTWIXLYZEFSG-UHFFFAOYSA-N -1 0 307.409 4.114 20 0 DIADRM CCON(CC)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001306887660 1065198538 /nfs/dbraw/zinc/19/85/38/1065198538.db2.gz LKZVTVDGOMEIKT-UHFFFAOYSA-N -1 0 319.788 4.126 20 0 DIADRM