smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(NCc2ccccc2)cccc1C(=O)[O-] ZINC000000259020 344662299 /nfs/dbraw/zinc/66/22/99/344662299.db2.gz IMWVGDUYOTXNTR-UHFFFAOYSA-N -1 0 241.290 3.305 20 0 BGADRM O=C(Nc1ccccc1)c1cccc(Cl)c1[O-] ZINC000000967761 560180075 /nfs/dbraw/zinc/18/00/75/560180075.db2.gz GOCQZGNVXYJCIZ-UHFFFAOYSA-N -1 0 247.681 3.298 20 0 in-vitro BGADRM Cc1ccc(-c2ccccc2)cc1C(=O)[O-] ZINC000001602106 178327010 /nfs/dbraw/zinc/32/70/10/178327010.db2.gz WTSGYCUASKQTIJ-UHFFFAOYSA-N -1 0 212.248 3.360 20 0 BGADRM O=C([O-])Cc1ccc(-c2ccccc2F)cc1 ZINC000005848009 386307337 /nfs/dbraw/zinc/30/73/37/386307337.db2.gz HSOKOZJRZALFLQ-UHFFFAOYSA-N -1 0 230.238 3.120 20 0 BGADRM O=C([O-])CCCOc1ccc(Cl)c(Cl)c1 ZINC000006092106 386714800 /nfs/dbraw/zinc/71/48/00/386714800.db2.gz AKDSUKZFDDKNNM-UHFFFAOYSA-N -1 0 249.093 3.237 20 0 BGADRM Cc1oc(-c2cccc(F)c2)cc1C(=O)[O-] ZINC000006279947 635361609 /nfs/dbraw/zinc/36/16/09/635361609.db2.gz LKKMYWGHIMDENZ-UHFFFAOYSA-N -1 0 220.199 3.092 20 0 BGADRM CCCNC(=S)[N-]c1ccccc1SC ZINC000006333732 635366755 /nfs/dbraw/zinc/36/67/55/635366755.db2.gz IXIBNLXNGWOQDH-UHFFFAOYSA-N -1 0 240.397 3.105 20 0 BGADRM Cc1ccccc1NCc1ccc(C(=O)[O-])cc1 ZINC000006396521 179306184 /nfs/dbraw/zinc/30/61/84/179306184.db2.gz XGSRFHXMHASRJX-UHFFFAOYSA-N -1 0 241.290 3.305 20 0 BGADRM Cc1oc(-c2ccccc2F)cc1C(=O)[O-] ZINC000006825113 635504685 /nfs/dbraw/zinc/50/46/85/635504685.db2.gz VMQKKXXXBXETEJ-UHFFFAOYSA-N -1 0 220.199 3.092 20 0 BGADRM C[C@H](Sc1ccc2ccccc2c1)C(=O)[O-] ZINC000008362795 177029096 /nfs/dbraw/zinc/02/90/96/177029096.db2.gz ASDZGCJATASKGH-VIFPVBQESA-N -1 0 232.304 3.405 20 0 BGADRM C[C@@H](Sc1ccc2ccccc2c1)C(=O)[O-] ZINC000008362796 176009373 /nfs/dbraw/zinc/00/93/73/176009373.db2.gz ASDZGCJATASKGH-SECBINFHSA-N -1 0 232.304 3.405 20 0 BGADRM CSc1nnc(Nc2ccccc2F)s1 ZINC000010316480 347079678 /nfs/dbraw/zinc/07/96/78/347079678.db2.gz ZKFIITZPOBNHJF-UHFFFAOYSA-N -1 0 241.316 3.143 20 0 BGADRM CCc1ccccc1NC(=O)c1ccccc1O ZINC000011639169 386991264 /nfs/dbraw/zinc/99/12/64/386991264.db2.gz GIIDADOPLFZRCN-UHFFFAOYSA-N -1 0 241.290 3.207 20 0 BGADRM CCc1ccc(NC(=O)c2ccccc2O)cc1 ZINC000011639170 386990034 /nfs/dbraw/zinc/99/00/34/386990034.db2.gz JERPWGKCGDPMJK-UHFFFAOYSA-N -1 0 241.290 3.207 20 0 BGADRM O=C([O-])CCCSc1cccc(Cl)c1 ZINC000011801380 182441541 /nfs/dbraw/zinc/44/15/41/182441541.db2.gz DMFMSOSLFMWLHV-UHFFFAOYSA-N -1 0 230.716 3.297 20 0 BGADRM O=C([O-])CCCOc1cc(Cl)cc(Cl)c1 ZINC000011802739 384763664 /nfs/dbraw/zinc/76/36/64/384763664.db2.gz RDMMATAFNXXIGK-UHFFFAOYSA-N -1 0 249.093 3.237 20 0 BGADRM CCN(Cc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000011802759 169903754 /nfs/dbraw/zinc/90/37/54/169903754.db2.gz UILYEWPPNOIFDU-UHFFFAOYSA-N -1 0 245.278 3.004 20 0 BGADRM CN(Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000011864926 384703415 /nfs/dbraw/zinc/70/34/15/384703415.db2.gz FIDFJVMZSRHHJH-UHFFFAOYSA-N -1 0 241.290 3.021 20 0 BGADRM Cc1cccc(OCc2ccccc2C(=O)[O-])c1 ZINC000011888471 605347473 /nfs/dbraw/zinc/34/74/73/605347473.db2.gz LASWATWDQPUXKT-UHFFFAOYSA-N -1 0 242.274 3.272 20 0 BGADRM O=C([O-])CCCOc1cc(Cl)ccc1Cl ZINC000011889713 182440574 /nfs/dbraw/zinc/44/05/74/182440574.db2.gz FQOVPCIAGSYVLN-UHFFFAOYSA-N -1 0 249.093 3.237 20 0 BGADRM CCCCCC(=O)Nc1c(C)cccc1C(=O)[O-] ZINC000013433086 589124900 /nfs/dbraw/zinc/12/49/00/589124900.db2.gz IENUMSYKRVMGJW-UHFFFAOYSA-N -1 0 249.310 3.212 20 0 BGADRM CC(C)c1cccc(NC(=O)CCCC(=O)[O-])c1 ZINC000016478261 167631640 /nfs/dbraw/zinc/63/16/40/167631640.db2.gz OAKBBNQMAXYUOF-UHFFFAOYSA-N -1 0 249.310 3.003 20 0 BGADRM Cc1ccc(C(=O)[O-])cc1NCc1cccs1 ZINC000016973378 386587078 /nfs/dbraw/zinc/58/70/78/386587078.db2.gz YPJJDXJUZAAKTH-UHFFFAOYSA-N -1 0 247.319 3.367 20 0 BGADRM CCC(CC)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000019277481 168340813 /nfs/dbraw/zinc/34/08/13/168340813.db2.gz JUCAUILARYJBGN-UHFFFAOYSA-N -1 0 249.310 3.068 20 0 BGADRM C[C@@H](SCc1ccc(Cl)s1)C(=O)[O-] ZINC000019437276 176008647 /nfs/dbraw/zinc/00/86/47/176008647.db2.gz JNENFSZLRZFREA-RXMQYKEDSA-N -1 0 236.745 3.108 20 0 BGADRM C[C@H](SCc1ccc(Cl)s1)C(=O)[O-] ZINC000019437278 177027780 /nfs/dbraw/zinc/02/77/80/177027780.db2.gz JNENFSZLRZFREA-YFKPBYRVSA-N -1 0 236.745 3.108 20 0 BGADRM C[C@@H](SCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000019505078 176009075 /nfs/dbraw/zinc/00/90/75/176009075.db2.gz AAIUYSIRXXTVOB-ZCFIWIBFSA-N -1 0 248.706 3.185 20 0 BGADRM C[C@H](SCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000019505079 177027882 /nfs/dbraw/zinc/02/78/82/177027882.db2.gz AAIUYSIRXXTVOB-LURJTMIESA-N -1 0 248.706 3.185 20 0 BGADRM O=C(Nc1ccccc1)c1ccc(Cl)cc1[O-] ZINC000019836924 182377609 /nfs/dbraw/zinc/37/76/09/182377609.db2.gz CHMIAXQNCKWYOI-UHFFFAOYSA-N -1 0 247.681 3.298 20 0 BGADRM CCC(CC)Nc1ncc(C(=O)[O-])cc1Cl ZINC000019844620 168395657 /nfs/dbraw/zinc/39/56/57/168395657.db2.gz JRZYGJOHCDXGHE-UHFFFAOYSA-N -1 0 242.706 3.034 20 0 BGADRM C[C@@H]1CCC[C@@H](Nc2ccc(C(=O)[O-])cn2)[C@@H]1C ZINC000019845001 176123966 /nfs/dbraw/zinc/12/39/66/176123966.db2.gz SPTVEECYZDTUBZ-CKYFFXLPSA-N -1 0 248.326 3.016 20 0 BGADRM C[C@@H]1CCC[C@H](Nc2ccc(C(=O)[O-])cn2)[C@@H]1C ZINC000019845003 176145285 /nfs/dbraw/zinc/14/52/85/176145285.db2.gz SPTVEECYZDTUBZ-FOGDFJRCSA-N -1 0 248.326 3.016 20 0 BGADRM CCC[C@@H](C)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000020022458 259387414 /nfs/dbraw/zinc/38/74/14/259387414.db2.gz FBOMOCKRYYBASK-SNVBAGLBSA-N -1 0 249.310 3.068 20 0 BGADRM CCC[C@H](C)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000020022461 259387420 /nfs/dbraw/zinc/38/74/20/259387420.db2.gz FBOMOCKRYYBASK-JTQLQIEISA-N -1 0 249.310 3.068 20 0 BGADRM O=C([O-])c1ccc(CSc2cccs2)o1 ZINC000020078006 590071346 /nfs/dbraw/zinc/07/13/46/590071346.db2.gz QVQVUMIQBLTGMT-UHFFFAOYSA-N -1 0 240.305 3.332 20 0 BGADRM CCOc1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000020391065 170531235 /nfs/dbraw/zinc/53/12/35/170531235.db2.gz ABTJNFNKYGTSLJ-UHFFFAOYSA-N -1 0 242.274 3.451 20 0 BGADRM CC(C)SCc1ccc(C(=O)[O-])s1 ZINC000020395460 167335469 /nfs/dbraw/zinc/33/54/69/167335469.db2.gz LKQDFPISXTXSPB-UHFFFAOYSA-N -1 0 216.327 3.088 20 0 BGADRM Cc1ccc(C(=O)[O-])cc1-c1ccccc1 ZINC000020397745 634350392 /nfs/dbraw/zinc/35/03/92/634350392.db2.gz LDKRQIDXIOXWKR-UHFFFAOYSA-N -1 0 212.248 3.360 20 0 BGADRM O=C([O-])CCCCSc1ccccc1 ZINC000020474269 590116069 /nfs/dbraw/zinc/11/60/69/590116069.db2.gz GJMNFBCGDBGJMD-UHFFFAOYSA-N -1 0 210.298 3.034 20 0 BGADRM COc1cccc(SCCCCC(=O)[O-])c1 ZINC000020474304 590115868 /nfs/dbraw/zinc/11/58/68/590115868.db2.gz IHYVKJQJJHQHBA-UHFFFAOYSA-N -1 0 240.324 3.042 20 0 BGADRM COc1ccc(SCCCCC(=O)[O-])cc1 ZINC000020474309 590115851 /nfs/dbraw/zinc/11/58/51/590115851.db2.gz ZKWSBFJAFNNAKR-UHFFFAOYSA-N -1 0 240.324 3.042 20 0 BGADRM O=C([O-])CCCCSc1cccs1 ZINC000020474333 590115983 /nfs/dbraw/zinc/11/59/83/590115983.db2.gz AZFIAJNWMKWMFY-UHFFFAOYSA-N -1 0 216.327 3.095 20 0 BGADRM C[C@@H]1CCc2ccccc2N1CCCCC(=O)[O-] ZINC000020474641 132250723 /nfs/dbraw/zinc/25/07/23/132250723.db2.gz TYFHYTOKHOGVTR-GFCCVEGCSA-N -1 0 247.338 3.083 20 0 BGADRM C[C@H]1CCc2ccccc2N1CCCCC(=O)[O-] ZINC000020474642 132250901 /nfs/dbraw/zinc/25/09/01/132250901.db2.gz TYFHYTOKHOGVTR-LBPRGKRZSA-N -1 0 247.338 3.083 20 0 BGADRM CCN(CCCCC(=O)[O-])c1ccccc1C ZINC000020474649 386793029 /nfs/dbraw/zinc/79/30/29/386793029.db2.gz BSTRYBWZSONKHC-UHFFFAOYSA-N -1 0 235.327 3.076 20 0 BGADRM Cc1ccc2c(c1)CCCN2CCCCC(=O)[O-] ZINC000020474652 132250526 /nfs/dbraw/zinc/25/05/26/132250526.db2.gz UKYZPGMSPGTOIF-UHFFFAOYSA-N -1 0 247.338 3.003 20 0 BGADRM Cc1c(NCc2cccs2)cccc1C(=O)[O-] ZINC000020879945 350242432 /nfs/dbraw/zinc/24/24/32/350242432.db2.gz AJBOWCXJOHYHML-UHFFFAOYSA-N -1 0 247.319 3.367 20 0 BGADRM O=C([O-])c1cccc(NCc2cccc(F)c2)c1 ZINC000021951679 182578088 /nfs/dbraw/zinc/57/80/88/182578088.db2.gz JESTZGHCTDIGFJ-UHFFFAOYSA-N -1 0 245.253 3.136 20 0 BGADRM Cc1cccc(CNc2cccc(C(=O)[O-])c2)c1 ZINC000021952014 350689564 /nfs/dbraw/zinc/68/95/64/350689564.db2.gz GIDUUIGITLFLES-UHFFFAOYSA-N -1 0 241.290 3.305 20 0 BGADRM O=C([O-])CCSc1ccc(F)c(Cl)c1 ZINC000021961319 590269486 /nfs/dbraw/zinc/26/94/86/590269486.db2.gz MIQJXKQKTLGNQC-UHFFFAOYSA-N -1 0 234.679 3.046 20 0 BGADRM C[C@@H](Sc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000021963558 176009711 /nfs/dbraw/zinc/00/97/11/176009711.db2.gz LAJXPTQPZNQMHX-RXMQYKEDSA-N -1 0 234.679 3.044 20 0 BGADRM C[C@H](Sc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000021963562 177029328 /nfs/dbraw/zinc/02/93/28/177029328.db2.gz LAJXPTQPZNQMHX-YFKPBYRVSA-N -1 0 234.679 3.044 20 0 BGADRM O=C([O-])c1ccc(Oc2ccccc2Cl)nc1 ZINC000022222340 343044924 /nfs/dbraw/zinc/04/49/24/343044924.db2.gz LARAATUDIYMQMD-UHFFFAOYSA-N -1 0 249.653 3.226 20 0 BGADRM O=C([O-])c1ccc(NCc2ccccc2F)cc1 ZINC000026482508 591513291 /nfs/dbraw/zinc/51/32/91/591513291.db2.gz TVKKKDGJQZTLHL-UHFFFAOYSA-N -1 0 245.253 3.136 20 0 BGADRM O=C([O-])c1ccc(CNc2ccc(F)cc2)cc1 ZINC000026482543 591514295 /nfs/dbraw/zinc/51/42/95/591514295.db2.gz XUUKFEARWHFROG-UHFFFAOYSA-N -1 0 245.253 3.136 20 0 BGADRM Cc1ccc(CNc2cccc(C(=O)[O-])c2C)o1 ZINC000026482651 358438843 /nfs/dbraw/zinc/43/88/43/358438843.db2.gz XAKHPDAKSFWQKW-UHFFFAOYSA-N -1 0 245.278 3.207 20 0 BGADRM Cc1ccc(CNc2cc(C(=O)[O-])ccc2C)o1 ZINC000026482659 358439036 /nfs/dbraw/zinc/43/90/36/358439036.db2.gz RXNVYMLBWAIXTJ-UHFFFAOYSA-N -1 0 245.278 3.207 20 0 BGADRM CC(C)(C)n1cc(C(=O)[O-])c(-c2ccccc2)n1 ZINC000031885870 343225965 /nfs/dbraw/zinc/22/59/65/343225965.db2.gz BJNJEXKOCQLAMG-UHFFFAOYSA-N -1 0 244.294 3.003 20 0 BGADRM COc1ccc(-c2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000032100087 175032426 /nfs/dbraw/zinc/03/24/26/175032426.db2.gz OJZOHUSVEFOVIQ-UHFFFAOYSA-N -1 0 242.274 3.369 20 0 BGADRM O=C([O-])c1cccc(NCc2ccccc2F)c1 ZINC000032101942 353106829 /nfs/dbraw/zinc/10/68/29/353106829.db2.gz NSYZUXHMSZXZCC-UHFFFAOYSA-N -1 0 245.253 3.136 20 0 BGADRM O=C([O-])c1ccc(CNc2ccccc2F)cc1 ZINC000032101943 600347571 /nfs/dbraw/zinc/34/75/71/600347571.db2.gz YQOPWFGGRAIZIF-UHFFFAOYSA-N -1 0 245.253 3.136 20 0 BGADRM O=C([O-])c1ccc(CNc2cccc(F)c2)cc1 ZINC000032101946 600311255 /nfs/dbraw/zinc/31/12/55/600311255.db2.gz BNGUCHXSRLKTLJ-UHFFFAOYSA-N -1 0 245.253 3.136 20 0 BGADRM COc1ccc(-c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000033297548 642047249 /nfs/dbraw/zinc/04/72/49/642047249.db2.gz DJJPYNLLZYGDPI-CLFYSBASSA-N -1 0 244.246 3.053 20 0 BGADRM O=C([O-])/C=C\c1ccc(-c2ccccc2)o1 ZINC000033308189 182415426 /nfs/dbraw/zinc/41/54/26/182415426.db2.gz GGEKLCJBCQCQPL-CLFYSBASSA-N -1 0 214.220 3.044 20 0 BGADRM O=C([O-])/C=C\c1ccc(-c2ccc(F)cc2)o1 ZINC000033315037 642054352 /nfs/dbraw/zinc/05/43/52/642054352.db2.gz LHPYNYVABBATBM-VURMDHGXSA-N -1 0 232.210 3.184 20 0 BGADRM Cc1cccc(NCc2ccc(C(=O)[O-])cc2)c1 ZINC000033469202 179149439 /nfs/dbraw/zinc/14/94/39/179149439.db2.gz CLGGDBNPDTXSNL-UHFFFAOYSA-N -1 0 241.290 3.305 20 0 BGADRM CCCCCCSC[C@@H](C)C(=O)[O-] ZINC000033901976 600597964 /nfs/dbraw/zinc/59/79/64/600597964.db2.gz LOSXGFFFIGFRSX-SECBINFHSA-N -1 0 204.335 3.021 20 0 BGADRM CCCCCCSC[C@H](C)C(=O)[O-] ZINC000033901977 600597950 /nfs/dbraw/zinc/59/79/50/600597950.db2.gz LOSXGFFFIGFRSX-VIFPVBQESA-N -1 0 204.335 3.021 20 0 BGADRM O=C(Nc1ccccc1)c1c([O-])cccc1Cl ZINC000034087516 646197517 /nfs/dbraw/zinc/19/75/17/646197517.db2.gz TWZMMRAVWUNYOZ-UHFFFAOYSA-N -1 0 247.681 3.298 20 0 BGADRM C[C@H](O)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000034330428 643666079 /nfs/dbraw/zinc/66/60/79/643666079.db2.gz UIGNQCJEIDJQKB-JTQLQIEISA-N -1 0 242.274 3.105 20 0 BGADRM C[C@@H](O)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000034330429 646579442 /nfs/dbraw/zinc/57/94/42/646579442.db2.gz UIGNQCJEIDJQKB-SNVBAGLBSA-N -1 0 242.274 3.105 20 0 BGADRM O=C(Nc1cccc(Cl)c1[O-])c1ccccc1 ZINC000034458622 386414087 /nfs/dbraw/zinc/41/40/87/386414087.db2.gz XBUXPDJFZRAKGC-UHFFFAOYSA-N -1 0 247.681 3.298 20 0 BGADRM CCCC[C@H](Sc1ccccc1)C(=O)[O-] ZINC000034581435 169012918 /nfs/dbraw/zinc/01/29/18/169012918.db2.gz DKRRYMSLPPVGRB-NSHDSACASA-N -1 0 224.325 3.422 20 0 BGADRM CCCC[C@@H](Sc1ccccc1)C(=O)[O-] ZINC000034581436 600831773 /nfs/dbraw/zinc/83/17/73/600831773.db2.gz DKRRYMSLPPVGRB-LLVKDONJSA-N -1 0 224.325 3.422 20 0 BGADRM O=C([O-])c1ccccc1NCc1cccc(F)c1 ZINC000034961150 182582402 /nfs/dbraw/zinc/58/24/02/182582402.db2.gz IQAYUPMOUYPYFQ-UHFFFAOYSA-N -1 0 245.253 3.136 20 0 BGADRM O=C([O-])c1occc1CSc1cccs1 ZINC000034974405 600273953 /nfs/dbraw/zinc/27/39/53/600273953.db2.gz PHVPAEVWVIAJFH-UHFFFAOYSA-N -1 0 240.305 3.332 20 0 BGADRM O=C([O-])c1ccc(-c2ccc(F)cc2Cl)o1 ZINC000034975309 388805855 /nfs/dbraw/zinc/80/58/55/388805855.db2.gz UZBSVULFNAJGFA-UHFFFAOYSA-N -1 0 240.617 3.437 20 0 BGADRM O=C([O-])c1ccc(-c2cc(Cl)ccc2F)o1 ZINC000035284913 641368271 /nfs/dbraw/zinc/36/82/71/641368271.db2.gz KVBPLLLIZZVDAK-UHFFFAOYSA-N -1 0 240.617 3.437 20 0 BGADRM O=C([O-])c1ccoc1CSc1cccs1 ZINC000035432687 600119806 /nfs/dbraw/zinc/11/98/06/600119806.db2.gz AXMLRQQVCFPYEI-UHFFFAOYSA-N -1 0 240.305 3.332 20 0 BGADRM C[C@@H](CC(=O)[O-])Nc1cccc2ccccc21 ZINC000035747642 598217960 /nfs/dbraw/zinc/21/79/60/598217960.db2.gz POBCWSVFSQUEAM-JTQLQIEISA-N -1 0 229.279 3.115 20 0 BGADRM C[C@H](CC(=O)[O-])Nc1cccc2ccccc21 ZINC000035747644 598217929 /nfs/dbraw/zinc/21/79/29/598217929.db2.gz POBCWSVFSQUEAM-SNVBAGLBSA-N -1 0 229.279 3.115 20 0 BGADRM C[C@@H](CC(=O)[O-])Nc1ccc2ccccc2c1 ZINC000035750403 175644933 /nfs/dbraw/zinc/64/49/33/175644933.db2.gz IZXDPJYMLAALGV-JTQLQIEISA-N -1 0 229.279 3.115 20 0 BGADRM C[C@H](CC(=O)[O-])Nc1ccc2ccccc2c1 ZINC000035750404 634092725 /nfs/dbraw/zinc/09/27/25/634092725.db2.gz IZXDPJYMLAALGV-SNVBAGLBSA-N -1 0 229.279 3.115 20 0 BGADRM CC[C@@H](C)[C@@H](C)Nc1cccc(C(=O)[O-])c1 ZINC000036890976 605317140 /nfs/dbraw/zinc/31/71/40/605317140.db2.gz WBUCCDJGFAACIC-NXEZZACHSA-N -1 0 221.300 3.231 20 0 BGADRM CC[C@H](C)[C@@H](C)Nc1cccc(C(=O)[O-])c1 ZINC000036890978 605316701 /nfs/dbraw/zinc/31/67/01/605316701.db2.gz WBUCCDJGFAACIC-VHSXEESVSA-N -1 0 221.300 3.231 20 0 BGADRM CC[C@@H](C)[C@H](C)Nc1cccc(C(=O)[O-])c1 ZINC000036890980 605316783 /nfs/dbraw/zinc/31/67/83/605316783.db2.gz WBUCCDJGFAACIC-ZJUUUORDSA-N -1 0 221.300 3.231 20 0 BGADRM CC[C@H](C)[C@H](C)Nc1cccc(C(=O)[O-])c1 ZINC000036890982 605316851 /nfs/dbraw/zinc/31/68/51/605316851.db2.gz WBUCCDJGFAACIC-UWVGGRQHSA-N -1 0 221.300 3.231 20 0 BGADRM O=C([O-])c1cccc(NC[C@H]2CC=CCC2)c1 ZINC000036891008 358464169 /nfs/dbraw/zinc/46/41/69/358464169.db2.gz CYAKFBTVYOPQJO-NSHDSACASA-N -1 0 231.295 3.153 20 0 BGADRM O=C([O-])c1cccc(NC[C@@H]2CC=CCC2)c1 ZINC000036891010 182577477 /nfs/dbraw/zinc/57/74/77/182577477.db2.gz CYAKFBTVYOPQJO-LLVKDONJSA-N -1 0 231.295 3.153 20 0 BGADRM O=C([O-])c1cccc(NC2CCCCC2)c1 ZINC000036891040 712512996 /nfs/dbraw/zinc/51/29/96/712512996.db2.gz GYMNXZNGPDUQCQ-UHFFFAOYSA-N -1 0 219.284 3.129 20 0 BGADRM CC(C)C[C@@H](C)Nc1cccc(C(=O)[O-])c1 ZINC000036891129 605301171 /nfs/dbraw/zinc/30/11/71/605301171.db2.gz GSXGYCCBKIDBKU-SNVBAGLBSA-N -1 0 221.300 3.231 20 0 BGADRM CC(C)C[C@H](C)Nc1cccc(C(=O)[O-])c1 ZINC000036891131 605300917 /nfs/dbraw/zinc/30/09/17/605300917.db2.gz GSXGYCCBKIDBKU-JTQLQIEISA-N -1 0 221.300 3.231 20 0 BGADRM O=C([O-])c1cccc(NCC2CCCCC2)c1 ZINC000036891164 387864726 /nfs/dbraw/zinc/86/47/26/387864726.db2.gz CBMUGQMUNUFPHL-UHFFFAOYSA-N -1 0 233.311 3.377 20 0 BGADRM O=C([O-])c1cccc(NCc2ccsc2)c1 ZINC000036891168 358464912 /nfs/dbraw/zinc/46/49/12/358464912.db2.gz VQTHPDQAISGLRS-UHFFFAOYSA-N -1 0 233.292 3.058 20 0 BGADRM Cc1cccc(CNc2ccccc2C(=O)[O-])c1 ZINC000036891551 188286473 /nfs/dbraw/zinc/28/64/73/188286473.db2.gz HYOLBXXGDDLUGB-UHFFFAOYSA-N -1 0 241.290 3.305 20 0 BGADRM Cc1ccccc1CNc1ccccc1C(=O)[O-] ZINC000036891552 179286404 /nfs/dbraw/zinc/28/64/04/179286404.db2.gz GCXIPYLOIYYIMU-UHFFFAOYSA-N -1 0 241.290 3.305 20 0 BGADRM O=C([O-])c1ccccc1NCc1ccc(F)cc1 ZINC000036891556 343143373 /nfs/dbraw/zinc/14/33/73/343143373.db2.gz CXVDPDPSOFYHQD-UHFFFAOYSA-N -1 0 245.253 3.136 20 0 BGADRM Cc1ccsc1-c1nc(C)c(C(=O)[O-])s1 ZINC000036928987 179534200 /nfs/dbraw/zinc/53/42/00/179534200.db2.gz MABFHVRUGZGPFD-UHFFFAOYSA-N -1 0 239.321 3.187 20 0 BGADRM CCc1ccccc1-c1ccc(C(=O)[O-])o1 ZINC000036929533 712520790 /nfs/dbraw/zinc/52/07/90/712520790.db2.gz KLMFOYZBGBOUSM-UHFFFAOYSA-N -1 0 216.236 3.207 20 0 BGADRM Cc1ccc(F)cc1-c1ccc(C(=O)[O-])o1 ZINC000036929543 712520772 /nfs/dbraw/zinc/52/07/72/712520772.db2.gz FXSJNLLFMDELNP-UHFFFAOYSA-N -1 0 220.199 3.092 20 0 BGADRM O=C([O-])c1ccc(-c2ccc(Cl)cc2F)o1 ZINC000036929545 387866334 /nfs/dbraw/zinc/86/63/34/387866334.db2.gz DDSUPMVULCGCNB-UHFFFAOYSA-N -1 0 240.617 3.437 20 0 BGADRM O=C([O-])c1ccc(-c2cccc(Cl)c2F)o1 ZINC000036929556 712520718 /nfs/dbraw/zinc/52/07/18/712520718.db2.gz QYRGLALZRKQGES-UHFFFAOYSA-N -1 0 240.617 3.437 20 0 BGADRM O=C([O-])c1cnc(-c2cc3ccccc3o2)s1 ZINC000036930142 712520788 /nfs/dbraw/zinc/52/07/88/712520788.db2.gz MQRSVIOOWMNZAY-UHFFFAOYSA-N -1 0 245.259 3.255 20 0 BGADRM CSc1ccc(CS[C@@H](C)C(=O)[O-])cc1 ZINC000036965298 597070426 /nfs/dbraw/zinc/07/04/26/597070426.db2.gz FCFDZOYYMVUNGU-QMMMGPOBSA-N -1 0 242.365 3.115 20 0 BGADRM CSc1ccc(CS[C@H](C)C(=O)[O-])cc1 ZINC000036965299 597070056 /nfs/dbraw/zinc/07/00/56/597070056.db2.gz FCFDZOYYMVUNGU-MRVPVSSYSA-N -1 0 242.365 3.115 20 0 BGADRM Cc1ccc(C(=O)[O-])cc1NC[C@H]1CC=CCC1 ZINC000037087441 324260367 /nfs/dbraw/zinc/26/03/67/324260367.db2.gz LCIWDLRFUWOGIP-LBPRGKRZSA-N -1 0 245.322 3.461 20 0 BGADRM Cc1ccc(C(=O)[O-])cc1NC[C@@H]1CC=CCC1 ZINC000037087442 324260626 /nfs/dbraw/zinc/26/06/26/324260626.db2.gz LCIWDLRFUWOGIP-GFCCVEGCSA-N -1 0 245.322 3.461 20 0 BGADRM Cc1ccc(C(=O)[O-])cc1NCc1ccsc1 ZINC000037087521 387560262 /nfs/dbraw/zinc/56/02/62/387560262.db2.gz FEJHLANFDGLDFO-UHFFFAOYSA-N -1 0 247.319 3.367 20 0 BGADRM CCCCCNc1ccc(F)c(C(=O)[O-])c1 ZINC000037088352 601246106 /nfs/dbraw/zinc/24/61/06/601246106.db2.gz YGMDVZARQNKGEK-UHFFFAOYSA-N -1 0 225.263 3.126 20 0 BGADRM O=C([O-])c1cc(NC[C@H]2CC=CCC2)ccc1F ZINC000037088367 358467351 /nfs/dbraw/zinc/46/73/51/358467351.db2.gz CITQFBSAZJFILN-JTQLQIEISA-N -1 0 249.285 3.292 20 0 BGADRM O=C([O-])c1cc(NC[C@@H]2CC=CCC2)ccc1F ZINC000037088368 358467724 /nfs/dbraw/zinc/46/77/24/358467724.db2.gz CITQFBSAZJFILN-SNVBAGLBSA-N -1 0 249.285 3.292 20 0 BGADRM O=C([O-])c1cc(NCc2ccccc2)ccc1F ZINC000037088525 600283835 /nfs/dbraw/zinc/28/38/35/600283835.db2.gz ZJAQBQMBHJUZQJ-UHFFFAOYSA-N -1 0 245.253 3.136 20 0 BGADRM O=C([O-])c1ccc(F)c(NCc2ccccc2)c1 ZINC000037088888 188113065 /nfs/dbraw/zinc/11/30/65/188113065.db2.gz AEYIJVWKVBGMCD-UHFFFAOYSA-N -1 0 245.253 3.136 20 0 BGADRM CC(C)CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000037120919 167016627 /nfs/dbraw/zinc/01/66/27/167016627.db2.gz KRMKYWHAZUFWND-UHFFFAOYSA-N -1 0 227.691 3.106 20 0 BGADRM CCCCNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000037121100 601252422 /nfs/dbraw/zinc/25/24/22/601252422.db2.gz FCTGKNQRXSAJMI-UHFFFAOYSA-N -1 0 227.691 3.250 20 0 BGADRM CCCCCNc1cc(C(=O)[O-])c(F)cc1F ZINC000037122174 601246359 /nfs/dbraw/zinc/24/63/59/601246359.db2.gz KQNXXFNJZZUOCQ-UHFFFAOYSA-N -1 0 243.253 3.265 20 0 BGADRM CC[C@@H](C)CNc1cc(C(=O)[O-])c(F)cc1F ZINC000037122208 602161350 /nfs/dbraw/zinc/16/13/50/602161350.db2.gz BVWOPANIZZCPQH-SSDOTTSWSA-N -1 0 243.253 3.121 20 0 BGADRM CC[C@H](C)CNc1cc(C(=O)[O-])c(F)cc1F ZINC000037122210 602161369 /nfs/dbraw/zinc/16/13/69/602161369.db2.gz BVWOPANIZZCPQH-ZETCQYMHSA-N -1 0 243.253 3.121 20 0 BGADRM CC(C)CCNc1cc(C(=O)[O-])c(F)cc1F ZINC000037122322 601246124 /nfs/dbraw/zinc/24/61/24/601246124.db2.gz ZCONSINPZDKPLK-UHFFFAOYSA-N -1 0 243.253 3.121 20 0 BGADRM Cc1c(NC[C@H]2CC=CCC2)cccc1C(=O)[O-] ZINC000037122484 324299194 /nfs/dbraw/zinc/29/91/94/324299194.db2.gz AIXXYTUAHNTKHG-LBPRGKRZSA-N -1 0 245.322 3.461 20 0 BGADRM Cc1c(NC[C@@H]2CC=CCC2)cccc1C(=O)[O-] ZINC000037122485 324299162 /nfs/dbraw/zinc/29/91/62/324299162.db2.gz AIXXYTUAHNTKHG-GFCCVEGCSA-N -1 0 245.322 3.461 20 0 BGADRM Cc1c(NC2CCCC2)cccc1C(=O)[O-] ZINC000037122529 712546620 /nfs/dbraw/zinc/54/66/20/712546620.db2.gz JNBBAYIHVJDQLE-UHFFFAOYSA-N -1 0 219.284 3.048 20 0 BGADRM Cc1c(NCc2ccsc2)cccc1C(=O)[O-] ZINC000037122564 177620015 /nfs/dbraw/zinc/62/00/15/177620015.db2.gz KCHRTCUWYDTTJG-UHFFFAOYSA-N -1 0 247.319 3.367 20 0 BGADRM Cc1cccc(C(=O)NCC2CCCCC2)c1O ZINC000037247659 388611528 /nfs/dbraw/zinc/61/15/28/388611528.db2.gz RNTUFUMHXRBDAU-UHFFFAOYSA-N -1 0 247.338 3.011 20 0 BGADRM Cc1ccc(O)c(C(=O)NCC2CCCCC2)c1 ZINC000037247667 388611487 /nfs/dbraw/zinc/61/14/87/388611487.db2.gz HDBPXYBHRHTMGX-UHFFFAOYSA-N -1 0 247.338 3.011 20 0 BGADRM C[C@H](SCc1c(F)cccc1Cl)C(=O)[O-] ZINC000037374536 177028001 /nfs/dbraw/zinc/02/80/01/177028001.db2.gz REMYSNTVBFJFIT-LURJTMIESA-N -1 0 248.706 3.185 20 0 BGADRM C[C@@H](SCc1c(F)cccc1Cl)C(=O)[O-] ZINC000037374538 176009010 /nfs/dbraw/zinc/00/90/10/176009010.db2.gz REMYSNTVBFJFIT-ZCFIWIBFSA-N -1 0 248.706 3.185 20 0 BGADRM Cc1cc(C)cc(CS[C@@H](C)C(=O)[O-])c1 ZINC000037405691 597070428 /nfs/dbraw/zinc/07/04/28/597070428.db2.gz UPPBUTINXWHPFK-JTQLQIEISA-N -1 0 224.325 3.010 20 0 BGADRM Cc1cc(C)cc(CS[C@H](C)C(=O)[O-])c1 ZINC000037405692 597070008 /nfs/dbraw/zinc/07/00/08/597070008.db2.gz UPPBUTINXWHPFK-SNVBAGLBSA-N -1 0 224.325 3.010 20 0 BGADRM Cc1cccc(C(=O)NCCC2CCCC2)c1O ZINC000037492395 323285887 /nfs/dbraw/zinc/28/58/87/323285887.db2.gz NIIANRAWEVNJJM-UHFFFAOYSA-N -1 0 247.338 3.011 20 0 BGADRM O=C([O-])CCCN(c1ccccc1)C1CCCC1 ZINC000037595688 385231338 /nfs/dbraw/zinc/23/13/38/385231338.db2.gz KIWYZEUWCQJWJE-UHFFFAOYSA-N -1 0 247.338 3.300 20 0 BGADRM CC(C)CN(CCCC(=O)[O-])c1ccccc1 ZINC000037654528 600317454 /nfs/dbraw/zinc/31/74/54/600317454.db2.gz HKJCTPWAHIANDJ-UHFFFAOYSA-N -1 0 235.327 3.014 20 0 BGADRM O=c1nc(-c2ccc(-c3ccccc3)cc2)[n-]o1 ZINC000037926831 183306180 /nfs/dbraw/zinc/30/61/80/183306180.db2.gz ZQVMRARLIXVLMQ-UHFFFAOYSA-N -1 0 238.246 3.109 20 0 BGADRM CCOc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000038068140 170531622 /nfs/dbraw/zinc/53/16/22/170531622.db2.gz ISHKTDVDIGADQJ-UHFFFAOYSA-N -1 0 242.274 3.451 20 0 BGADRM COc1ccc(-c2ccccc2C(=O)[O-])c(C)c1 ZINC000038068746 175035303 /nfs/dbraw/zinc/03/53/03/175035303.db2.gz SNBMALIRAOBZQT-UHFFFAOYSA-N -1 0 242.274 3.369 20 0 BGADRM O=c1nc(CC2CCCCC2)[n-]c2ccsc21 ZINC000039122219 344929439 /nfs/dbraw/zinc/92/94/39/344929439.db2.gz SKYADJMLJLCKBE-UHFFFAOYSA-N -1 0 248.351 3.107 20 0 BGADRM O=C([O-])Cc1ccc(-c2ccccc2)s1 ZINC000039207214 641194308 /nfs/dbraw/zinc/19/43/08/641194308.db2.gz GVGGOKQDCOCQRF-UHFFFAOYSA-N -1 0 218.277 3.042 20 0 BGADRM O=C([O-])c1ccc(CSc2ccncc2)cc1 ZINC000039309515 601546791 /nfs/dbraw/zinc/54/67/91/601546791.db2.gz XNNOJWYLAXLGSO-UHFFFAOYSA-N -1 0 245.303 3.072 20 0 BGADRM CCN(CCCCC(=O)[O-])c1cccc(C)c1 ZINC000040235271 386656874 /nfs/dbraw/zinc/65/68/74/386656874.db2.gz HQKSXGKMDBIPNX-UHFFFAOYSA-N -1 0 235.327 3.076 20 0 BGADRM COc1ccccc1SCCCCC(=O)[O-] ZINC000041030366 361173039 /nfs/dbraw/zinc/17/30/39/361173039.db2.gz LWMJBUBGPPWDMB-UHFFFAOYSA-N -1 0 240.324 3.042 20 0 BGADRM CCCC[C@H](Nc1ccccc1C)C(=O)[O-] ZINC000041053374 600154500 /nfs/dbraw/zinc/15/45/00/600154500.db2.gz FOXBRIGHEDOPKI-LBPRGKRZSA-N -1 0 221.300 3.050 20 0 BGADRM CCCC[C@@H](Nc1ccccc1C)C(=O)[O-] ZINC000041053375 600154698 /nfs/dbraw/zinc/15/46/98/600154698.db2.gz FOXBRIGHEDOPKI-GFCCVEGCSA-N -1 0 221.300 3.050 20 0 BGADRM Cc1nc(Cc2cccc(C)c2)sc1C(=O)[O-] ZINC000041299124 599734340 /nfs/dbraw/zinc/73/43/40/599734340.db2.gz GUVKTGLUCBCPON-UHFFFAOYSA-N -1 0 247.319 3.049 20 0 BGADRM O=C([O-])c1cccc(CNc2ccccc2F)c1 ZINC000041571185 601570160 /nfs/dbraw/zinc/57/01/60/601570160.db2.gz VLINXSSZMYOBEC-UHFFFAOYSA-N -1 0 245.253 3.136 20 0 BGADRM O=C([O-])c1cccc(CNc2ccc(F)cc2)c1 ZINC000041571257 601543378 /nfs/dbraw/zinc/54/33/78/601543378.db2.gz PWENFDNVVJBXSU-UHFFFAOYSA-N -1 0 245.253 3.136 20 0 BGADRM O=C([O-])c1cccc(CNc2cccc(F)c2)c1 ZINC000041571348 601554601 /nfs/dbraw/zinc/55/46/01/601554601.db2.gz NGJRLLWLEGFAMT-UHFFFAOYSA-N -1 0 245.253 3.136 20 0 BGADRM Cc1cccc(NCc2cccc(C(=O)[O-])c2)c1 ZINC000041571946 179150785 /nfs/dbraw/zinc/15/07/85/179150785.db2.gz HSECTQQKMMKXBV-UHFFFAOYSA-N -1 0 241.290 3.305 20 0 BGADRM Cc1ccccc1NCc1cccc(C(=O)[O-])c1 ZINC000041572008 179305416 /nfs/dbraw/zinc/30/54/16/179305416.db2.gz YLSCAFLWZCEXIR-UHFFFAOYSA-N -1 0 241.290 3.305 20 0 BGADRM Cc1ccc(NCc2cccc(C(=O)[O-])c2)cc1 ZINC000041578935 601554616 /nfs/dbraw/zinc/55/46/16/601554616.db2.gz YDHVQLIWBWUKDA-UHFFFAOYSA-N -1 0 241.290 3.305 20 0 BGADRM CCc1nc(-c2cccc(C(=O)[O-])c2)sc1C ZINC000041664095 322836276 /nfs/dbraw/zinc/83/62/76/322836276.db2.gz MNABKFDTKRFZSO-UHFFFAOYSA-N -1 0 247.319 3.379 20 0 BGADRM O=C([O-])c1ccc(OC/C=C/Cl)c(Cl)c1 ZINC000042220592 604968725 /nfs/dbraw/zinc/96/87/25/604968725.db2.gz QBNHMAANRBSTRK-DAFODLJHSA-N -1 0 247.077 3.170 20 0 BGADRM O=C([O-])c1ccc2ccccc2c1OCC1CC1 ZINC000042392902 601954973 /nfs/dbraw/zinc/95/49/73/601954973.db2.gz ATBYPVWQMJXEAK-UHFFFAOYSA-N -1 0 242.274 3.327 20 0 BGADRM C[C@H]1CCC[C@H](N(C)C(=O)c2cccc(O)c2)C1 ZINC000042495499 177133861 /nfs/dbraw/zinc/13/38/61/177133861.db2.gz SPMHKQJCGSTWFT-AAEUAGOBSA-N -1 0 247.338 3.043 20 0 BGADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cccc(O)c1 ZINC000042610596 177080988 /nfs/dbraw/zinc/08/09/88/177080988.db2.gz FJWRVVYLIQRROR-FZMZJTMJSA-N -1 0 247.338 3.043 20 0 BGADRM Cc1cc(NC(=O)CC(C)(C)C)ccc1C(=O)[O-] ZINC000044749815 178126346 /nfs/dbraw/zinc/12/63/46/178126346.db2.gz KSFZTQXZFSYJBU-UHFFFAOYSA-N -1 0 249.310 3.068 20 0 BGADRM CCC(CC)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000044749836 168341044 /nfs/dbraw/zinc/34/10/44/168341044.db2.gz YPVODODHFFYKKD-UHFFFAOYSA-N -1 0 249.310 3.068 20 0 BGADRM Cc1cc(NC(=O)CCC(C)C)ccc1C(=O)[O-] ZINC000044749912 178126431 /nfs/dbraw/zinc/12/64/31/178126431.db2.gz MMPLASNNWHZWGP-UHFFFAOYSA-N -1 0 249.310 3.068 20 0 BGADRM CCC[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000044749917 169353281 /nfs/dbraw/zinc/35/32/81/169353281.db2.gz QJAAFYGRNHYGDO-SECBINFHSA-N -1 0 249.310 3.068 20 0 BGADRM CCC[C@H](C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000044749918 384355972 /nfs/dbraw/zinc/35/59/72/384355972.db2.gz QJAAFYGRNHYGDO-VIFPVBQESA-N -1 0 249.310 3.068 20 0 BGADRM CCCCCC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000044749947 599917569 /nfs/dbraw/zinc/91/75/69/599917569.db2.gz TVZKDQJOWNKLQV-UHFFFAOYSA-N -1 0 249.310 3.212 20 0 BGADRM O=C([O-])c1cc(-c2ccccc2F)cs1 ZINC000047204956 635673903 /nfs/dbraw/zinc/67/39/03/635673903.db2.gz IMJGANUSSDWOAF-UHFFFAOYSA-N -1 0 222.240 3.252 20 0 BGADRM O=C([O-])c1ccc(Cl)c(-c2cccnc2)c1 ZINC000047216680 641636624 /nfs/dbraw/zinc/63/66/24/641636624.db2.gz PXSDBATXLXRZOD-UHFFFAOYSA-N -1 0 233.654 3.100 20 0 BGADRM O=C([O-])c1ccc(Cl)c(-c2ccncc2)c1 ZINC000047216682 641638327 /nfs/dbraw/zinc/63/83/27/641638327.db2.gz RQVKHTDYUFLJPI-UHFFFAOYSA-N -1 0 233.654 3.100 20 0 BGADRM O=C([O-])c1cc(Cl)cc(-c2cccnc2)c1 ZINC000047216684 487627160 /nfs/dbraw/zinc/62/71/60/487627160.db2.gz SBQMTZUOQMXXAC-UHFFFAOYSA-N -1 0 233.654 3.100 20 0 BGADRM O=C([O-])c1cc(Cl)cc(-c2ccncc2)c1 ZINC000047216686 342902390 /nfs/dbraw/zinc/90/23/90/342902390.db2.gz LBXOHXKBAUJWAP-UHFFFAOYSA-N -1 0 233.654 3.100 20 0 BGADRM Cc1cccc(C(=O)N(CC(C)C)C(C)C)c1O ZINC000047872973 179006291 /nfs/dbraw/zinc/00/62/91/179006291.db2.gz BGXXGVSEEGTZMO-UHFFFAOYSA-N -1 0 249.354 3.207 20 0 BGADRM CC[C@@H](C)NC(=O)c1ccc(C(C)C)cc1O ZINC000048517677 323153722 /nfs/dbraw/zinc/15/37/22/323153722.db2.gz QZRZPMLSTAJEPM-SNVBAGLBSA-N -1 0 235.327 3.044 20 0 BGADRM CC[C@H](C)NC(=O)c1ccc(C(C)C)cc1O ZINC000048517679 323153727 /nfs/dbraw/zinc/15/37/27/323153727.db2.gz QZRZPMLSTAJEPM-JTQLQIEISA-N -1 0 235.327 3.044 20 0 BGADRM Cc1ccc(C(=O)NC2CCCCC2)c(O)c1C ZINC000048517695 323153711 /nfs/dbraw/zinc/15/37/11/323153711.db2.gz QJCGNJMIYKIPJI-UHFFFAOYSA-N -1 0 247.338 3.072 20 0 BGADRM CC(C)CCNC(=O)c1ccc(C(C)C)cc1O ZINC000048517761 323153686 /nfs/dbraw/zinc/15/36/86/323153686.db2.gz BKJXUUXMADLWGC-UHFFFAOYSA-N -1 0 249.354 3.292 20 0 BGADRM CC(C)c1ccc(C(=O)NC2CCCC2)c(O)c1 ZINC000048517792 323153743 /nfs/dbraw/zinc/15/37/43/323153743.db2.gz GSGDPZYEBKNZIU-UHFFFAOYSA-N -1 0 247.338 3.188 20 0 BGADRM CC(C)C(=O)/C(C#N)=C\c1ccc([O-])c(Cl)c1 ZINC000049391282 636080797 /nfs/dbraw/zinc/08/07/97/636080797.db2.gz NQYHTJJLAZAWNJ-YHYXMXQVSA-N -1 0 249.697 3.178 20 0 BGADRM Cc1ccc(CS[C@@H](C)C(=O)[O-])cc1C ZINC000049668501 602290560 /nfs/dbraw/zinc/29/05/60/602290560.db2.gz YMJTVWXBUMAAHG-JTQLQIEISA-N -1 0 224.325 3.010 20 0 BGADRM Cc1ccc(CS[C@H](C)C(=O)[O-])cc1C ZINC000049668504 602290687 /nfs/dbraw/zinc/29/06/87/602290687.db2.gz YMJTVWXBUMAAHG-SNVBAGLBSA-N -1 0 224.325 3.010 20 0 BGADRM Cc1ccc(CSCCC(=O)[O-])cc1C ZINC000049668505 602290626 /nfs/dbraw/zinc/29/06/26/602290626.db2.gz ALMVUZIIWQGOCG-UHFFFAOYSA-N -1 0 224.325 3.011 20 0 BGADRM CCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000050182039 171929268 /nfs/dbraw/zinc/92/92/68/171929268.db2.gz PQHGKPWGRXSTKL-UHFFFAOYSA-N -1 0 233.292 3.071 20 0 BGADRM CCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000050182041 600992934 /nfs/dbraw/zinc/99/29/34/600992934.db2.gz SBHDGFPRFDBIQM-UHFFFAOYSA-N -1 0 233.292 3.071 20 0 BGADRM CCCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000050192956 384690730 /nfs/dbraw/zinc/69/07/30/384690730.db2.gz ROWHWCOGZBVCMX-UHFFFAOYSA-N -1 0 247.319 3.461 20 0 BGADRM CCCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000050192958 600452181 /nfs/dbraw/zinc/45/21/81/600452181.db2.gz GEAZCXQUKUXSQS-UHFFFAOYSA-N -1 0 247.319 3.461 20 0 BGADRM O=C([O-])c1cc(NCC2CCCC2)ccc1F ZINC000050271777 604984116 /nfs/dbraw/zinc/98/41/16/604984116.db2.gz DZJRTMMFFCDBQH-UHFFFAOYSA-N -1 0 237.274 3.126 20 0 BGADRM O=C([O-])c1ccccc1NCCc1cccs1 ZINC000050913017 605421607 /nfs/dbraw/zinc/42/16/07/605421607.db2.gz FUOOUYCSMVNLJV-UHFFFAOYSA-N -1 0 247.319 3.101 20 0 BGADRM C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000051040383 600731045 /nfs/dbraw/zinc/73/10/45/600731045.db2.gz AAEGYKPTBXKFHH-NSHDSACASA-N -1 0 241.290 3.239 20 0 BGADRM C[C@@H](Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000051040384 600730767 /nfs/dbraw/zinc/73/07/67/600730767.db2.gz AAEGYKPTBXKFHH-LLVKDONJSA-N -1 0 241.290 3.239 20 0 BGADRM C[C@@H]1CCC[C@H](Nc2cccc(C(=O)[O-])n2)[C@@H]1C ZINC000051042042 604708868 /nfs/dbraw/zinc/70/88/68/604708868.db2.gz SPCVHGWSOVWEMI-MXWKQRLJSA-N -1 0 248.326 3.016 20 0 BGADRM C[C@@H]1CCC[C@@H](Nc2cccc(C(=O)[O-])n2)[C@@H]1C ZINC000051042044 604708790 /nfs/dbraw/zinc/70/87/90/604708790.db2.gz SPCVHGWSOVWEMI-GMTAPVOTSA-N -1 0 248.326 3.016 20 0 BGADRM C[C@H](Nc1cccc(C(=O)[O-])n1)c1cccs1 ZINC000051042808 604709028 /nfs/dbraw/zinc/70/90/28/604709028.db2.gz QXCKJICYYLHLKM-QMMMGPOBSA-N -1 0 248.307 3.014 20 0 BGADRM C[C@@H](Nc1cccc(C(=O)[O-])n1)c1cccs1 ZINC000051042810 604708989 /nfs/dbraw/zinc/70/89/89/604708989.db2.gz QXCKJICYYLHLKM-MRVPVSSYSA-N -1 0 248.307 3.014 20 0 BGADRM C[C@@H]1CCCC[C@@H]1CNc1cccc(C(=O)[O-])n1 ZINC000051067259 604710559 /nfs/dbraw/zinc/71/05/59/604710559.db2.gz MLMSFGTTZYDUBA-GHMZBOCLSA-N -1 0 248.326 3.018 20 0 BGADRM C[C@H]1CCCC[C@@H]1CNc1cccc(C(=O)[O-])n1 ZINC000051067261 604710969 /nfs/dbraw/zinc/71/09/69/604710969.db2.gz MLMSFGTTZYDUBA-WDEREUQCSA-N -1 0 248.326 3.018 20 0 BGADRM C[C@@H]1CCCC[C@H]1CNc1cccc(C(=O)[O-])n1 ZINC000051067263 604710580 /nfs/dbraw/zinc/71/05/80/604710580.db2.gz MLMSFGTTZYDUBA-MNOVXSKESA-N -1 0 248.326 3.018 20 0 BGADRM C[C@H]1CCCC[C@H]1CNc1cccc(C(=O)[O-])n1 ZINC000051067265 604711093 /nfs/dbraw/zinc/71/10/93/604711093.db2.gz MLMSFGTTZYDUBA-QWRGUYRKSA-N -1 0 248.326 3.018 20 0 BGADRM Cc1ccc(OCc2cc(C(=O)[O-])co2)c(C)c1 ZINC000051329315 599843656 /nfs/dbraw/zinc/84/36/56/599843656.db2.gz UUIUFDWWWAAECP-UHFFFAOYSA-N -1 0 246.262 3.174 20 0 BGADRM Cc1cccc(OCc2cc(C(=O)[O-])co2)c1C ZINC000051329321 179172166 /nfs/dbraw/zinc/17/21/66/179172166.db2.gz VAKNPKWXPGIHJW-UHFFFAOYSA-N -1 0 246.262 3.174 20 0 BGADRM CCc1ccc(OCc2cc(C(=O)[O-])co2)cc1 ZINC000051329323 599843566 /nfs/dbraw/zinc/84/35/66/599843566.db2.gz PXDITUQJOYRRDX-UHFFFAOYSA-N -1 0 246.262 3.119 20 0 BGADRM Cc1ccc(C)c(OCc2cc(C(=O)[O-])co2)c1 ZINC000051329333 599802488 /nfs/dbraw/zinc/80/24/88/599802488.db2.gz MOLKWNUNHRCDKL-UHFFFAOYSA-N -1 0 246.262 3.174 20 0 BGADRM Cc1ccc(OCc2cc(C(=O)[O-])co2)cc1C ZINC000051329334 599843637 /nfs/dbraw/zinc/84/36/37/599843637.db2.gz JOMVEQQFUJEXCL-UHFFFAOYSA-N -1 0 246.262 3.174 20 0 BGADRM Cc1cc(C)cc(OCc2cc(C(=O)[O-])co2)c1 ZINC000051329335 599802465 /nfs/dbraw/zinc/80/24/65/599802465.db2.gz RNESBMZYILBITA-UHFFFAOYSA-N -1 0 246.262 3.174 20 0 BGADRM Cc1cccc(C)c1OCc1cc(C(=O)[O-])co1 ZINC000051329357 599843561 /nfs/dbraw/zinc/84/35/61/599843561.db2.gz CWRFPSXHMWVZCK-UHFFFAOYSA-N -1 0 246.262 3.174 20 0 BGADRM CCc1cccc(OCc2cc(C(=O)[O-])co2)c1 ZINC000051329384 171866206 /nfs/dbraw/zinc/86/62/06/171866206.db2.gz TUMYXOIMMMKBPM-UHFFFAOYSA-N -1 0 246.262 3.119 20 0 BGADRM O=C([O-])c1coc(CSc2ccccc2)c1 ZINC000051329582 182593916 /nfs/dbraw/zinc/59/39/16/182593916.db2.gz UKQANUJYIUYXAN-UHFFFAOYSA-N -1 0 234.276 3.270 20 0 BGADRM O=C([O-])c1coc(CSCc2ccccc2)c1 ZINC000051329591 599802867 /nfs/dbraw/zinc/80/28/67/599802867.db2.gz AGFVSUGEDHFFOE-UHFFFAOYSA-N -1 0 248.303 3.411 20 0 BGADRM O=C([O-])c1coc(CSc2cccs2)c1 ZINC000051329630 600273887 /nfs/dbraw/zinc/27/38/87/600273887.db2.gz HLFGJZZDWQVRPK-UHFFFAOYSA-N -1 0 240.305 3.332 20 0 BGADRM O=C([O-])c1coc(CSCc2ccco2)c1 ZINC000051329631 600515381 /nfs/dbraw/zinc/51/53/81/600515381.db2.gz XJQWVAXTJZLUHQ-UHFFFAOYSA-N -1 0 238.264 3.004 20 0 BGADRM CCN(Cc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000051330287 599847520 /nfs/dbraw/zinc/84/75/20/599847520.db2.gz CZLQVJOBCYZIAV-UHFFFAOYSA-N -1 0 245.278 3.004 20 0 BGADRM Cc1oc(C(=O)[O-])cc1CSCC(C)C ZINC000051361168 600029292 /nfs/dbraw/zinc/02/92/92/600029292.db2.gz GQRVRSSUWSGQPT-UHFFFAOYSA-N -1 0 228.313 3.175 20 0 BGADRM CCc1ccc(CNc2cccc(C(=O)[O-])c2)o1 ZINC000051722140 358760273 /nfs/dbraw/zinc/76/02/73/358760273.db2.gz ZKSXXVWJGMVVHW-UHFFFAOYSA-N -1 0 245.278 3.152 20 0 BGADRM C[C@H](Nc1cccc(C(=O)[O-])n1)C1CCCCC1 ZINC000052343772 604714243 /nfs/dbraw/zinc/71/42/43/604714243.db2.gz DNUUJSWYVRFMJD-JTQLQIEISA-N -1 0 248.326 3.161 20 0 BGADRM C[C@@H](Nc1cccc(C(=O)[O-])n1)C1CCCCC1 ZINC000052343774 604714315 /nfs/dbraw/zinc/71/43/15/604714315.db2.gz DNUUJSWYVRFMJD-SNVBAGLBSA-N -1 0 248.326 3.161 20 0 BGADRM CC[C@H](Sc1cccc(Cl)c1)C(=O)[O-] ZINC000054184969 599762771 /nfs/dbraw/zinc/76/27/71/599762771.db2.gz IXMLPGQYAFZOSM-VIFPVBQESA-N -1 0 230.716 3.295 20 0 BGADRM CC[C@@H](Sc1cccc(Cl)c1)C(=O)[O-] ZINC000054184970 599762780 /nfs/dbraw/zinc/76/27/80/599762780.db2.gz IXMLPGQYAFZOSM-SECBINFHSA-N -1 0 230.716 3.295 20 0 BGADRM CCC(C)(C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000054401621 168268171 /nfs/dbraw/zinc/26/81/71/168268171.db2.gz CLSMNPXZUOEHSJ-UHFFFAOYSA-N -1 0 249.310 3.068 20 0 BGADRM CCC(C)(C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000054401930 168268581 /nfs/dbraw/zinc/26/85/81/168268581.db2.gz LOPVMUMUWWNPIO-UHFFFAOYSA-N -1 0 249.310 3.068 20 0 BGADRM C[C@@H](CC(=O)[O-])S[C@H]1CCC[C@@H](C)C1 ZINC000054687962 600379724 /nfs/dbraw/zinc/37/97/24/600379724.db2.gz QPDKTQGWRJCKLD-UTLUCORTSA-N -1 0 216.346 3.162 20 0 BGADRM C[C@@H](CC(=O)[O-])S[C@@H]1CCC[C@@H](C)C1 ZINC000054687966 600379681 /nfs/dbraw/zinc/37/96/81/600379681.db2.gz QPDKTQGWRJCKLD-KXUCPTDWSA-N -1 0 216.346 3.162 20 0 BGADRM C[C@H](CS[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000054687979 600379770 /nfs/dbraw/zinc/37/97/70/600379770.db2.gz FIZRLZKFRVODIM-BBBLOLIVSA-N -1 0 216.346 3.019 20 0 BGADRM C[C@H](CS[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000054687984 600379579 /nfs/dbraw/zinc/37/95/79/600379579.db2.gz FIZRLZKFRVODIM-OPRDCNLKSA-N -1 0 216.346 3.019 20 0 BGADRM Cc1ccccc1CS[C@@H](C)CC(=O)[O-] ZINC000054963637 600585624 /nfs/dbraw/zinc/58/56/24/600585624.db2.gz XGJFFCSYOZOOOB-JTQLQIEISA-N -1 0 224.325 3.091 20 0 BGADRM Cc1ccccc1CS[C@H](C)CC(=O)[O-] ZINC000054963638 600585504 /nfs/dbraw/zinc/58/55/04/600585504.db2.gz XGJFFCSYOZOOOB-SNVBAGLBSA-N -1 0 224.325 3.091 20 0 BGADRM Cc1cccc(CS[C@@H](C)CC(=O)[O-])c1 ZINC000054965079 600587863 /nfs/dbraw/zinc/58/78/63/600587863.db2.gz BJZXGDGKIQFYRX-JTQLQIEISA-N -1 0 224.325 3.091 20 0 BGADRM Cc1cccc(CS[C@H](C)CC(=O)[O-])c1 ZINC000054965081 600588001 /nfs/dbraw/zinc/58/80/01/600588001.db2.gz BJZXGDGKIQFYRX-SNVBAGLBSA-N -1 0 224.325 3.091 20 0 BGADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccccc1O ZINC000055482146 177080964 /nfs/dbraw/zinc/08/09/64/177080964.db2.gz ZHKZPNGPVNZALG-AAEUAGOBSA-N -1 0 247.338 3.043 20 0 BGADRM CCC[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000057351849 169353114 /nfs/dbraw/zinc/35/31/14/169353114.db2.gz SRHBLQCDRAOELY-SECBINFHSA-N -1 0 249.310 3.068 20 0 BGADRM CCC[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000057351852 410166024 /nfs/dbraw/zinc/16/60/24/410166024.db2.gz SRHBLQCDRAOELY-VIFPVBQESA-N -1 0 249.310 3.068 20 0 BGADRM Cc1c(NC(=O)CC(C)(C)C)cccc1C(=O)[O-] ZINC000057351933 410166517 /nfs/dbraw/zinc/16/65/17/410166517.db2.gz UIWAXFPAHSDWCX-UHFFFAOYSA-N -1 0 249.310 3.068 20 0 BGADRM CCC(CC)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000058019742 168341330 /nfs/dbraw/zinc/34/13/30/168341330.db2.gz PZMWHGJQDUBTLK-UHFFFAOYSA-N -1 0 249.310 3.068 20 0 BGADRM CC[C@H](SCCCc1ccccc1)C(=O)[O-] ZINC000058252867 600188164 /nfs/dbraw/zinc/18/81/64/600188164.db2.gz BACAICSDDKZCID-LBPRGKRZSA-N -1 0 238.352 3.216 20 0 BGADRM CC[C@@H](SCCCc1ccccc1)C(=O)[O-] ZINC000058252870 600188093 /nfs/dbraw/zinc/18/80/93/600188093.db2.gz BACAICSDDKZCID-GFCCVEGCSA-N -1 0 238.352 3.216 20 0 BGADRM CCCC[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000058846148 640749847 /nfs/dbraw/zinc/74/98/47/640749847.db2.gz QXBSZBHQGTZXJX-SNVBAGLBSA-N -1 0 249.310 3.150 20 0 BGADRM CCCC[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000058846154 640751275 /nfs/dbraw/zinc/75/12/75/640751275.db2.gz QXBSZBHQGTZXJX-JTQLQIEISA-N -1 0 249.310 3.150 20 0 BGADRM CCCC[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000058853908 368523469 /nfs/dbraw/zinc/52/34/69/368523469.db2.gz CVZYUZBVFDWZHU-SNVBAGLBSA-N -1 0 249.310 3.150 20 0 BGADRM CCCC[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000058853914 368524091 /nfs/dbraw/zinc/52/40/91/368524091.db2.gz CVZYUZBVFDWZHU-JTQLQIEISA-N -1 0 249.310 3.150 20 0 BGADRM O=C([O-])NCc1cccc(Oc2ccccc2)c1 ZINC000059679306 602665930 /nfs/dbraw/zinc/66/59/30/602665930.db2.gz PFRVOOAVPCYWES-UHFFFAOYSA-N -1 0 243.262 3.247 20 0 BGADRM O=C([O-])NCc1ccc(Oc2ccccc2)cc1 ZINC000059679934 602670545 /nfs/dbraw/zinc/67/05/45/602670545.db2.gz SCLONZJBQCTZAY-UHFFFAOYSA-N -1 0 243.262 3.247 20 0 BGADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000060123912 602663090 /nfs/dbraw/zinc/66/30/90/602663090.db2.gz WMJVCZISNWMUKC-UHFFFAOYSA-N -1 0 234.082 3.103 20 0 BGADRM O=C(CCC1CCCC1)NOCc1ccccc1 ZINC000061509070 640969698 /nfs/dbraw/zinc/96/96/98/640969698.db2.gz AXURFBTVPVGKMA-UHFFFAOYSA-N -1 0 247.338 3.205 20 0 BGADRM CCC(C)(C)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000061857349 599912578 /nfs/dbraw/zinc/91/25/78/599912578.db2.gz HVEVCERXYKDLBS-UHFFFAOYSA-N -1 0 249.310 3.068 20 0 BGADRM CC[C@@H](C)OC(=O)c1ccc([O-])c(Cl)c1 ZINC000062170672 641024702 /nfs/dbraw/zinc/02/47/02/641024702.db2.gz KEFQMXMWCUJVCJ-SSDOTTSWSA-N -1 0 228.675 3.001 20 0 BGADRM CC[C@H](C)OC(=O)c1ccc([O-])c(Cl)c1 ZINC000062170674 641025709 /nfs/dbraw/zinc/02/57/09/641025709.db2.gz KEFQMXMWCUJVCJ-ZETCQYMHSA-N -1 0 228.675 3.001 20 0 BGADRM CCCCOC(=O)c1ccc([O-])c(Cl)c1 ZINC000062171049 641026029 /nfs/dbraw/zinc/02/60/29/641026029.db2.gz ZYXCFLLLKGPMBJ-UHFFFAOYSA-N -1 0 228.675 3.003 20 0 BGADRM O=C([O-])c1ccccc1-c1ccc2c(c1)COC2 ZINC000062334259 411202723 /nfs/dbraw/zinc/20/27/23/411202723.db2.gz QHUZMLZDYYVUQY-UHFFFAOYSA-N -1 0 240.258 3.082 20 0 BGADRM O=C([O-])c1cccc(-c2ccc3c(c2)COC3)c1 ZINC000062334260 385770938 /nfs/dbraw/zinc/77/09/38/385770938.db2.gz NRDUNKQSJWAUFI-UHFFFAOYSA-N -1 0 240.258 3.082 20 0 BGADRM CCCCC(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000062337892 387853992 /nfs/dbraw/zinc/85/39/92/387853992.db2.gz JPSBSNBZKQWBOF-UHFFFAOYSA-N -1 0 249.310 3.130 20 0 BGADRM CC(C)CSCc1ccc(C(=O)[O-])cc1F ZINC000062765657 604669316 /nfs/dbraw/zinc/66/93/16/604669316.db2.gz LQXUDPPKBFLYSI-UHFFFAOYSA-N -1 0 242.315 3.413 20 0 BGADRM CC(C)CSCc1cc(C(=O)[O-])ccc1F ZINC000062765658 605787391 /nfs/dbraw/zinc/78/73/91/605787391.db2.gz WKOUNWBSBUNRGH-UHFFFAOYSA-N -1 0 242.315 3.413 20 0 BGADRM CC(C)SCc1ccc(C(=O)[O-])cc1F ZINC000062766332 604753449 /nfs/dbraw/zinc/75/34/49/604753449.db2.gz BNDDYDZUVIDDGO-UHFFFAOYSA-N -1 0 228.288 3.166 20 0 BGADRM CC(C)SCc1cc(C(=O)[O-])ccc1F ZINC000062766333 605787278 /nfs/dbraw/zinc/78/72/78/605787278.db2.gz ITSVKOQYMUXOMQ-UHFFFAOYSA-N -1 0 228.288 3.166 20 0 BGADRM Cc1cc(CSC2CCCC2)oc1C(=O)[O-] ZINC000062829008 601404504 /nfs/dbraw/zinc/40/45/04/601404504.db2.gz XDFBOHLFOHVMGY-UHFFFAOYSA-N -1 0 240.324 3.462 20 0 BGADRM O=C([O-])c1coc(CSC2CCCC2)c1 ZINC000062829015 599802801 /nfs/dbraw/zinc/80/28/01/599802801.db2.gz VIRUSYHGDZMBBR-UHFFFAOYSA-N -1 0 226.297 3.154 20 0 BGADRM CC1CCC(CNc2cccc(C(=O)[O-])n2)CC1 ZINC000063147105 604710544 /nfs/dbraw/zinc/71/05/44/604710544.db2.gz LYVGWOMETHFSRK-UHFFFAOYSA-N -1 0 248.326 3.018 20 0 BGADRM CC(=O)c1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000065339747 385084146 /nfs/dbraw/zinc/08/41/46/385084146.db2.gz MCNDIBNNLZUPIH-UHFFFAOYSA-N -1 0 240.258 3.254 20 0 BGADRM Cc1cccc(-c2cccc(C=O)c2)c1C(=O)[O-] ZINC000065349708 178994386 /nfs/dbraw/zinc/99/43/86/178994386.db2.gz UQBJSPPSEBBTKS-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM Cc1cc(C(=O)[O-])ccc1-c1cccc(C=O)c1 ZINC000065349709 712387697 /nfs/dbraw/zinc/38/76/97/712387697.db2.gz BKPGQKBYKFMIOK-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM Cc1c(C(=O)[O-])cccc1-c1cccc(C=O)c1 ZINC000065349710 712387730 /nfs/dbraw/zinc/38/77/30/712387730.db2.gz JQYGNIJBPQXXIO-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM Cc1ccc(-c2cccc(C=O)c2)c(C(=O)[O-])c1 ZINC000065349711 178326940 /nfs/dbraw/zinc/32/69/40/178326940.db2.gz LRIWDCGOHYNSBB-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM O=Cc1cccc(-c2cc(F)ccc2C(=O)[O-])c1 ZINC000065349716 712387747 /nfs/dbraw/zinc/38/77/47/712387747.db2.gz MPXHZNNCFOCZEN-UHFFFAOYSA-N -1 0 244.221 3.003 20 0 BGADRM O=Cc1cccc(-c2ccc(F)cc2C(=O)[O-])c1 ZINC000065349717 712387658 /nfs/dbraw/zinc/38/76/58/712387658.db2.gz UDMJXAJSVHTJKG-UHFFFAOYSA-N -1 0 244.221 3.003 20 0 BGADRM O=Cc1cccc(-c2cc(C(=O)[O-])ccc2F)c1 ZINC000065349718 182870638 /nfs/dbraw/zinc/87/06/38/182870638.db2.gz IRMHOHDPAFACBX-UHFFFAOYSA-N -1 0 244.221 3.003 20 0 BGADRM O=Cc1cccc(-c2ccc(C(=O)[O-])cc2F)c1 ZINC000065349719 182870727 /nfs/dbraw/zinc/87/07/27/182870727.db2.gz AIGOEDLTRUNIOL-UHFFFAOYSA-N -1 0 244.221 3.003 20 0 BGADRM O=Cc1cccc(-c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000065349720 182870613 /nfs/dbraw/zinc/87/06/13/182870613.db2.gz ZYNZUQGGPCLNQC-UHFFFAOYSA-N -1 0 244.221 3.003 20 0 BGADRM O=Cc1cccc(-c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000065349721 182870445 /nfs/dbraw/zinc/87/04/45/182870445.db2.gz DACHUQUHNRACJS-UHFFFAOYSA-N -1 0 244.221 3.003 20 0 BGADRM O=Cc1cccc(-c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000065349722 712387422 /nfs/dbraw/zinc/38/74/22/712387422.db2.gz FFPQABNTAYRZRO-UHFFFAOYSA-N -1 0 244.221 3.003 20 0 BGADRM Cc1cccc(-c2ccc(C=O)cc2)c1C(=O)[O-] ZINC000065349736 712387439 /nfs/dbraw/zinc/38/74/39/712387439.db2.gz UXAYTVXWDLONMK-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM Cc1cc(C(=O)[O-])ccc1-c1ccc(C=O)cc1 ZINC000065349737 712387589 /nfs/dbraw/zinc/38/75/89/712387589.db2.gz URYBHDYCRMSUIQ-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM Cc1c(C(=O)[O-])cccc1-c1ccc(C=O)cc1 ZINC000065349738 712387847 /nfs/dbraw/zinc/38/78/47/712387847.db2.gz ISKNKBUXTFPNJL-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM Cc1ccc(-c2ccc(C=O)cc2)c(C(=O)[O-])c1 ZINC000065349739 178324197 /nfs/dbraw/zinc/32/41/97/178324197.db2.gz GWBIRNCZGVMUPJ-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM O=Cc1ccc(-c2ccc(F)cc2C(=O)[O-])cc1 ZINC000065349745 712387444 /nfs/dbraw/zinc/38/74/44/712387444.db2.gz VEMXABRQQKLTJK-UHFFFAOYSA-N -1 0 244.221 3.003 20 0 BGADRM O=Cc1ccc(-c2cc(C(=O)[O-])ccc2F)cc1 ZINC000065349746 712387587 /nfs/dbraw/zinc/38/75/87/712387587.db2.gz ACHWHEXQOGJUNS-UHFFFAOYSA-N -1 0 244.221 3.003 20 0 BGADRM O=Cc1ccc(-c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000065349749 712387507 /nfs/dbraw/zinc/38/75/07/712387507.db2.gz AEKVDOUKBFWRSY-UHFFFAOYSA-N -1 0 244.221 3.003 20 0 BGADRM O=Cc1ccc(-c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000065349750 182864150 /nfs/dbraw/zinc/86/41/50/182864150.db2.gz JZTGXILRXLHOKB-UHFFFAOYSA-N -1 0 244.221 3.003 20 0 BGADRM O=Cc1ccc(-c2cccc(F)c2C(=O)[O-])cc1 ZINC000065349751 182865502 /nfs/dbraw/zinc/86/55/02/182865502.db2.gz RWMFFVTYXUCBOA-UHFFFAOYSA-N -1 0 244.221 3.003 20 0 BGADRM Cc1cccc(-c2ccc(C=O)s2)c1C(=O)[O-] ZINC000065350269 712387654 /nfs/dbraw/zinc/38/76/54/712387654.db2.gz QKCDLMUBRRPVOS-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM Cc1cc(C(=O)[O-])ccc1-c1ccc(C=O)s1 ZINC000065350270 177823495 /nfs/dbraw/zinc/82/34/95/177823495.db2.gz GCQNQGRZNSEWPI-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM Cc1c(C(=O)[O-])cccc1-c1ccc(C=O)s1 ZINC000065350271 177571291 /nfs/dbraw/zinc/57/12/91/177571291.db2.gz XACXQKKQZWWAGM-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM Cc1ccc(-c2ccc(C=O)s2)c(C(=O)[O-])c1 ZINC000065350272 178324457 /nfs/dbraw/zinc/32/44/57/178324457.db2.gz PVIIMVLNZQOKKN-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM O=C([O-])c1cccc(-c2nc(C3CC3)cs2)c1 ZINC000068945739 387109859 /nfs/dbraw/zinc/10/98/59/387109859.db2.gz HPFRVBPHYQLKDT-UHFFFAOYSA-N -1 0 245.303 3.386 20 0 BGADRM O=C([O-])c1ccc(-c2nc(C3CC3)cs2)cc1 ZINC000069086770 600084804 /nfs/dbraw/zinc/08/48/04/600084804.db2.gz JFFIUZSFRDNTNX-UHFFFAOYSA-N -1 0 245.303 3.386 20 0 BGADRM Cc1cc(OCCC(C)C)c(C(=O)[O-])s1 ZINC000069976453 601577682 /nfs/dbraw/zinc/57/76/82/601577682.db2.gz KBNXZGQFVQCVKL-UHFFFAOYSA-N -1 0 228.313 3.180 20 0 BGADRM CC[C@@H](C)COc1cc(C)sc1C(=O)[O-] ZINC000069976464 602158518 /nfs/dbraw/zinc/15/85/18/602158518.db2.gz RIKTVDPMHHJGJY-SSDOTTSWSA-N -1 0 228.313 3.180 20 0 BGADRM CC[C@H](C)COc1cc(C)sc1C(=O)[O-] ZINC000069976468 602158353 /nfs/dbraw/zinc/15/83/53/602158353.db2.gz RIKTVDPMHHJGJY-ZETCQYMHSA-N -1 0 228.313 3.180 20 0 BGADRM Cc1cc(OCC2CCCC2)c(C(=O)[O-])s1 ZINC000069976568 604984401 /nfs/dbraw/zinc/98/44/01/604984401.db2.gz CXBLICUUHASCQO-UHFFFAOYSA-N -1 0 240.324 3.324 20 0 BGADRM Cc1ccc(O)c(C(=O)N[C@@H](C)C2CCCC2)c1 ZINC000070308295 323186164 /nfs/dbraw/zinc/18/61/64/323186164.db2.gz ALFBYACZWNCYOW-NSHDSACASA-N -1 0 247.338 3.009 20 0 BGADRM O=C([O-])CCCCSc1ncccc1Cl ZINC000070614626 597751653 /nfs/dbraw/zinc/75/16/53/597751653.db2.gz WTYGDCRHUCVCAS-UHFFFAOYSA-N -1 0 245.731 3.082 20 0 BGADRM CC(C)CSCc1ccc(F)cc1C(=O)[O-] ZINC000070849973 600029253 /nfs/dbraw/zinc/02/92/53/600029253.db2.gz HRIGNYYBTBSMFY-UHFFFAOYSA-N -1 0 242.315 3.413 20 0 BGADRM CC(C)c1nc(-c2cc(C(=O)[O-])co2)cs1 ZINC000071009482 537886004 /nfs/dbraw/zinc/88/60/04/537886004.db2.gz XQJYSEGVSNLKCH-UHFFFAOYSA-N -1 0 237.280 3.225 20 0 BGADRM CCCc1nc(-c2cc(C(=O)[O-])co2)cs1 ZINC000071009508 599858148 /nfs/dbraw/zinc/85/81/48/599858148.db2.gz TVZJBNRVUKXZLE-UHFFFAOYSA-N -1 0 237.280 3.054 20 0 BGADRM CCCSCc1ccc(C(=O)[O-])s1 ZINC000071026164 601846168 /nfs/dbraw/zinc/84/61/68/601846168.db2.gz OTWAIKBEMQACQF-UHFFFAOYSA-N -1 0 216.327 3.090 20 0 BGADRM CC(C)CSCc1ccc(C(=O)[O-])s1 ZINC000071026168 601846114 /nfs/dbraw/zinc/84/61/14/601846114.db2.gz CBSQDQRFFJQVAZ-UHFFFAOYSA-N -1 0 230.354 3.336 20 0 BGADRM CCCCSCc1ccc(C(=O)[O-])s1 ZINC000071026171 601846137 /nfs/dbraw/zinc/84/61/37/601846137.db2.gz IECQNPWCCGRKBI-UHFFFAOYSA-N -1 0 230.354 3.480 20 0 BGADRM O=C([O-])c1cc(F)ccc1COc1ccccc1 ZINC000071265313 600079282 /nfs/dbraw/zinc/07/92/82/600079282.db2.gz UFXUCTWWSFVKON-UHFFFAOYSA-N -1 0 246.237 3.103 20 0 BGADRM C[C@@H]1Cc2ccccc2N1CCCCCC(=O)[O-] ZINC000071286234 411623719 /nfs/dbraw/zinc/62/37/19/411623719.db2.gz MKLIRVOOCPHRFE-GFCCVEGCSA-N -1 0 247.338 3.083 20 0 BGADRM C[C@H]1Cc2ccccc2N1CCCCCC(=O)[O-] ZINC000071286235 409733230 /nfs/dbraw/zinc/73/32/30/409733230.db2.gz MKLIRVOOCPHRFE-LBPRGKRZSA-N -1 0 247.338 3.083 20 0 BGADRM O=C([O-])CCCCCN1CCCc2ccccc21 ZINC000071286254 643116192 /nfs/dbraw/zinc/11/61/92/643116192.db2.gz HZGCTRWAQCARFO-UHFFFAOYSA-N -1 0 247.338 3.084 20 0 BGADRM Cc1cccc(N(C)CCCCCC(=O)[O-])c1 ZINC000071286771 350097420 /nfs/dbraw/zinc/09/74/20/350097420.db2.gz HFFRNEISDVQJMO-UHFFFAOYSA-N -1 0 235.327 3.076 20 0 BGADRM Cc1ccc(N(C)CCCCCC(=O)[O-])cc1 ZINC000071286777 643116020 /nfs/dbraw/zinc/11/60/20/643116020.db2.gz YSBAJKKDHMFXFW-UHFFFAOYSA-N -1 0 235.327 3.076 20 0 BGADRM Cc1ccc(NCc2ccc(C(=O)[O-])o2)cc1F ZINC000071380294 601600260 /nfs/dbraw/zinc/60/02/60/601600260.db2.gz VIBMXTRDSHJZNQ-UHFFFAOYSA-N -1 0 249.241 3.037 20 0 BGADRM Cc1cc(F)ccc1NCc1ccc(C(=O)[O-])o1 ZINC000071380300 601769629 /nfs/dbraw/zinc/76/96/29/601769629.db2.gz UUJNXFDEENFCAE-UHFFFAOYSA-N -1 0 249.241 3.037 20 0 BGADRM Cc1ccc(NCc2ccc(C(=O)[O-])o2)c(F)c1 ZINC000071380583 601634072 /nfs/dbraw/zinc/63/40/72/601634072.db2.gz BEMKQMPHVYMNNZ-UHFFFAOYSA-N -1 0 249.241 3.037 20 0 BGADRM Cc1ccc(F)c(NCc2ccc(C(=O)[O-])o2)c1 ZINC000071380593 601634037 /nfs/dbraw/zinc/63/40/37/601634037.db2.gz NLXGURSSAMJIIH-UHFFFAOYSA-N -1 0 249.241 3.037 20 0 BGADRM O=C([O-])c1c(F)cccc1NCc1ccccc1 ZINC000071559610 388099197 /nfs/dbraw/zinc/09/91/97/388099197.db2.gz MZOONXBGIHTLSL-UHFFFAOYSA-N -1 0 245.253 3.136 20 0 BGADRM CN(C(=O)[O-])C1c2ccccc2-c2ccccc21 ZINC000072338665 601374188 /nfs/dbraw/zinc/37/41/88/601374188.db2.gz MANOJBIXPKRVAM-UHFFFAOYSA-N -1 0 239.274 3.366 20 0 BGADRM O=C([O-])c1coc(-c2ccc(Cl)cc2)c1 ZINC000074037310 358420453 /nfs/dbraw/zinc/42/04/53/358420453.db2.gz KJFXPFMNNVEOTP-UHFFFAOYSA-N -1 0 222.627 3.298 20 0 BGADRM Cc1ccc(C(=O)[O-])cc1-c1ccc(C=O)s1 ZINC000075878629 635188156 /nfs/dbraw/zinc/18/81/56/635188156.db2.gz NJGMPOSVIWLUOR-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM CCC(C)(C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000077010798 168269575 /nfs/dbraw/zinc/26/95/75/168269575.db2.gz VWOWOOTVPHEMDS-UHFFFAOYSA-N -1 0 241.718 3.420 20 0 BGADRM CC(C)[C@@H](C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000077011826 167353480 /nfs/dbraw/zinc/35/34/80/167353480.db2.gz IZENDSLWVNLYPF-MRVPVSSYSA-N -1 0 241.718 3.276 20 0 BGADRM CC(C)[C@H](C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000077011827 191006273 /nfs/dbraw/zinc/00/62/73/191006273.db2.gz IZENDSLWVNLYPF-QMMMGPOBSA-N -1 0 241.718 3.276 20 0 BGADRM Cc1oc(-c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000077073234 711502951 /nfs/dbraw/zinc/50/29/51/711502951.db2.gz JJPUCRJKBKEWJX-UHFFFAOYSA-N -1 0 238.189 3.231 20 0 BGADRM C[C@@H]1CC[C@H](Nc2cccc(C(=O)[O-])n2)[C@H](C)C1 ZINC000078467370 604712586 /nfs/dbraw/zinc/71/25/86/604712586.db2.gz HMDXBKVPZGFMOX-MXWKQRLJSA-N -1 0 248.326 3.016 20 0 BGADRM C[C@@H]1CC[C@@H](Nc2cccc(C(=O)[O-])n2)[C@H](C)C1 ZINC000078467381 604712040 /nfs/dbraw/zinc/71/20/40/604712040.db2.gz HMDXBKVPZGFMOX-GMTAPVOTSA-N -1 0 248.326 3.016 20 0 BGADRM CC(C)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000078568393 602663665 /nfs/dbraw/zinc/66/36/65/602663665.db2.gz YOECLKZIOWDXLY-NSHDSACASA-N -1 0 207.273 3.041 20 0 BGADRM CC(C)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000078568398 602663481 /nfs/dbraw/zinc/66/34/81/602663481.db2.gz YOECLKZIOWDXLY-LLVKDONJSA-N -1 0 207.273 3.041 20 0 BGADRM CCC[C@@H](C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000078833702 169353329 /nfs/dbraw/zinc/35/33/29/169353329.db2.gz XNWKUTRNWMASCA-MRVPVSSYSA-N -1 0 241.718 3.420 20 0 BGADRM O=C([O-])CCCCSc1ccc(Cl)cn1 ZINC000079421850 597752923 /nfs/dbraw/zinc/75/29/23/597752923.db2.gz YLSWNUJSAJGENE-UHFFFAOYSA-N -1 0 245.731 3.082 20 0 BGADRM CC1(C)CCC(NC(=O)c2ccccc2O)CC1 ZINC000079679795 388543106 /nfs/dbraw/zinc/54/31/06/388543106.db2.gz FTCLFAXPZRUMIC-UHFFFAOYSA-N -1 0 247.338 3.091 20 0 BGADRM CC1(C)CCC(Nc2cccc(C(=O)[O-])n2)CC1 ZINC000079679964 604713968 /nfs/dbraw/zinc/71/39/68/604713968.db2.gz RXULYBUOMNMKNR-UHFFFAOYSA-N -1 0 248.326 3.161 20 0 BGADRM C[C@@H](NC(=O)[O-])c1ccc2ccccc2c1 ZINC000080821872 602663664 /nfs/dbraw/zinc/66/36/64/602663664.db2.gz AHGIDSBMPOADNH-SECBINFHSA-N -1 0 215.252 3.168 20 0 BGADRM CCC(CC)C(=O)Nc1cccc(Cl)c1[O-] ZINC000081780892 168340853 /nfs/dbraw/zinc/34/08/53/168340853.db2.gz SPXMHOWIASNWOG-UHFFFAOYSA-N -1 0 241.718 3.420 20 0 BGADRM O=C([O-])c1ccc(OC/C=C\Cl)c(Cl)c1 ZINC000082266806 604968972 /nfs/dbraw/zinc/96/89/72/604968972.db2.gz QBNHMAANRBSTRK-RJRFIUFISA-N -1 0 247.077 3.170 20 0 BGADRM CC(C)CSCc1ccsc1C(=O)[O-] ZINC000082501387 601889389 /nfs/dbraw/zinc/88/93/89/601889389.db2.gz MHIGQWDFKDOVFE-UHFFFAOYSA-N -1 0 230.354 3.336 20 0 BGADRM CC(C)c1noc(-c2ccc(Cl)cc2[O-])n1 ZINC000082644391 385625477 /nfs/dbraw/zinc/62/54/77/385625477.db2.gz VMXAMMGAGIBZKL-UHFFFAOYSA-N -1 0 238.674 3.219 20 0 BGADRM CC(C)c1noc(-c2ccc([O-])c(Cl)c2)n1 ZINC000082644397 385624991 /nfs/dbraw/zinc/62/49/91/385624991.db2.gz UVXSPXDAIXWSMC-UHFFFAOYSA-N -1 0 238.674 3.219 20 0 BGADRM CC(C)c1noc(-c2cc(Cl)ccc2[O-])n1 ZINC000082644405 385625607 /nfs/dbraw/zinc/62/56/07/385625607.db2.gz SRRQEICAKWDNFT-UHFFFAOYSA-N -1 0 238.674 3.219 20 0 BGADRM COc1ccccc1Nc1cccc(C(=O)[O-])c1 ZINC000082715010 175339686 /nfs/dbraw/zinc/33/96/86/175339686.db2.gz UVEXVVVQJUSQAM-UHFFFAOYSA-N -1 0 243.262 3.137 20 0 BGADRM COc1cccc(Nc2cccc(C(=O)[O-])c2)c1 ZINC000082715054 175281083 /nfs/dbraw/zinc/28/10/83/175281083.db2.gz QPQVMQHDDJUTRS-UHFFFAOYSA-N -1 0 243.262 3.137 20 0 BGADRM O=C([O-])c1cccc(Nc2cc(F)cc(F)c2)c1 ZINC000082715687 388587839 /nfs/dbraw/zinc/58/78/39/388587839.db2.gz NZERVRQYDCCWKI-UHFFFAOYSA-N -1 0 249.216 3.407 20 0 BGADRM CCCCC(=O)Nc1ccc(O)c(Cl)c1 ZINC000082879679 384274407 /nfs/dbraw/zinc/27/44/07/384274407.db2.gz HXTNETLFYWPQAZ-UHFFFAOYSA-N -1 0 227.691 3.174 20 0 BGADRM C[C@@H](CSCc1ccc(Cl)cc1)C(=O)[O-] ZINC000083050972 599900219 /nfs/dbraw/zinc/90/02/19/599900219.db2.gz MSFMEOQPTIPSAN-QMMMGPOBSA-N -1 0 244.743 3.294 20 0 BGADRM C[C@H](CSCc1ccc(Cl)cc1)C(=O)[O-] ZINC000083050974 599900406 /nfs/dbraw/zinc/90/04/06/599900406.db2.gz MSFMEOQPTIPSAN-MRVPVSSYSA-N -1 0 244.743 3.294 20 0 BGADRM C[C@@H](CS[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000083051059 600605408 /nfs/dbraw/zinc/60/54/08/600605408.db2.gz XZVUZYGSMNSJDK-UWVGGRQHSA-N -1 0 224.325 3.202 20 0 BGADRM C[C@H](CS[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000083051060 600605401 /nfs/dbraw/zinc/60/54/01/600605401.db2.gz XZVUZYGSMNSJDK-ZJUUUORDSA-N -1 0 224.325 3.202 20 0 BGADRM C[C@@H](CS[C@H](C)c1ccccc1)C(=O)[O-] ZINC000083051061 600605335 /nfs/dbraw/zinc/60/53/35/600605335.db2.gz XZVUZYGSMNSJDK-VHSXEESVSA-N -1 0 224.325 3.202 20 0 BGADRM C[C@@H](SC[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000083051062 600605495 /nfs/dbraw/zinc/60/54/95/600605495.db2.gz XZVUZYGSMNSJDK-NXEZZACHSA-N -1 0 224.325 3.202 20 0 BGADRM C[C@@H](CSCc1cccc(Cl)c1)C(=O)[O-] ZINC000083051071 600601086 /nfs/dbraw/zinc/60/10/86/600601086.db2.gz GTKWDRBPYOZKJJ-QMMMGPOBSA-N -1 0 244.743 3.294 20 0 BGADRM C[C@H](CSCc1cccc(Cl)c1)C(=O)[O-] ZINC000083051072 600601144 /nfs/dbraw/zinc/60/11/44/600601144.db2.gz GTKWDRBPYOZKJJ-MRVPVSSYSA-N -1 0 244.743 3.294 20 0 BGADRM C[C@@H](CSCc1ccccc1Cl)C(=O)[O-] ZINC000083051135 600603838 /nfs/dbraw/zinc/60/38/38/600603838.db2.gz NQSDMUVAYUMUGR-QMMMGPOBSA-N -1 0 244.743 3.294 20 0 BGADRM C[C@H](CSCc1ccccc1Cl)C(=O)[O-] ZINC000083051136 600603887 /nfs/dbraw/zinc/60/38/87/600603887.db2.gz NQSDMUVAYUMUGR-MRVPVSSYSA-N -1 0 244.743 3.294 20 0 BGADRM Cc1cc(C)cc(CSC[C@@H](C)C(=O)[O-])c1 ZINC000083051254 600601141 /nfs/dbraw/zinc/60/11/41/600601141.db2.gz MVFLIPFYNAVGNZ-LLVKDONJSA-N -1 0 238.352 3.257 20 0 BGADRM Cc1cc(C)cc(CSC[C@H](C)C(=O)[O-])c1 ZINC000083051255 600600939 /nfs/dbraw/zinc/60/09/39/600600939.db2.gz MVFLIPFYNAVGNZ-NSHDSACASA-N -1 0 238.352 3.257 20 0 BGADRM C[C@@H](CSCCCc1ccccc1)C(=O)[O-] ZINC000083051313 600603857 /nfs/dbraw/zinc/60/38/57/600603857.db2.gz WGRRAJFKXKCUDK-NSHDSACASA-N -1 0 238.352 3.073 20 0 BGADRM C[C@H](CSCCCc1ccccc1)C(=O)[O-] ZINC000083051314 600603826 /nfs/dbraw/zinc/60/38/26/600603826.db2.gz WGRRAJFKXKCUDK-LLVKDONJSA-N -1 0 238.352 3.073 20 0 BGADRM Cc1ccc(C)c(CSC[C@@H](C)C(=O)[O-])c1 ZINC000083051351 600599529 /nfs/dbraw/zinc/59/95/29/600599529.db2.gz VBLXOGJQIUROSZ-LLVKDONJSA-N -1 0 238.352 3.257 20 0 BGADRM Cc1ccc(C)c(CSC[C@H](C)C(=O)[O-])c1 ZINC000083051352 600599543 /nfs/dbraw/zinc/59/95/43/600599543.db2.gz VBLXOGJQIUROSZ-NSHDSACASA-N -1 0 238.352 3.257 20 0 BGADRM CCc1ccc(CSC[C@@H](C)C(=O)[O-])cc1 ZINC000083051368 600274406 /nfs/dbraw/zinc/27/44/06/600274406.db2.gz URJRMFMLOLBUOI-SNVBAGLBSA-N -1 0 238.352 3.203 20 0 BGADRM CCc1ccc(CSC[C@H](C)C(=O)[O-])cc1 ZINC000083051369 600274332 /nfs/dbraw/zinc/27/43/32/600274332.db2.gz URJRMFMLOLBUOI-JTQLQIEISA-N -1 0 238.352 3.203 20 0 BGADRM CCc1nc(C2CCCC2)sc1C(=O)[O-] ZINC000083354116 604922478 /nfs/dbraw/zinc/92/24/78/604922478.db2.gz YCEYLOVSJMVMJX-UHFFFAOYSA-N -1 0 225.313 3.061 20 0 BGADRM CCc1nc(C2CCCCC2)sc1C(=O)[O-] ZINC000083367303 604922043 /nfs/dbraw/zinc/92/20/43/604922043.db2.gz WHSRODRDKHOBAI-UHFFFAOYSA-N -1 0 239.340 3.451 20 0 BGADRM Cc1cc(-c2ccccc2C(=O)[O-])cs1 ZINC000083446635 351337197 /nfs/dbraw/zinc/33/71/97/351337197.db2.gz BOXWNFJLOQRBKP-UHFFFAOYSA-N -1 0 218.277 3.422 20 0 BGADRM CCN(CCCCCC(=O)[O-])c1ccccc1 ZINC000083679398 368802977 /nfs/dbraw/zinc/80/29/77/368802977.db2.gz KDTUFOGLVVSIOT-UHFFFAOYSA-N -1 0 235.327 3.158 20 0 BGADRM O=C([O-])c1ccc(OCC2CCC2)c(Cl)c1 ZINC000083837924 600834579 /nfs/dbraw/zinc/83/45/79/600834579.db2.gz BVUPFNKDDIUJBP-UHFFFAOYSA-N -1 0 240.686 3.217 20 0 BGADRM C/C(=C\COc1cc(C)ccc1Cl)C(=O)[O-] ZINC000084001142 601097126 /nfs/dbraw/zinc/09/71/26/601097126.db2.gz JGMHNAKZHJRFTN-WEVVVXLNSA-N -1 0 240.686 3.058 20 0 BGADRM C/C(=C\CSc1ccc(Cl)cc1)C(=O)[O-] ZINC000084001347 601097059 /nfs/dbraw/zinc/09/70/59/601097059.db2.gz OIGSSAMAEANXNQ-SOFGYWHQSA-N -1 0 242.727 3.463 20 0 BGADRM C/C(=C\CSc1ccc(C)cc1)C(=O)[O-] ZINC000084001382 601097024 /nfs/dbraw/zinc/09/70/24/601097024.db2.gz VHJFWMUVRJGGAL-JXMROGBWSA-N -1 0 222.309 3.118 20 0 BGADRM C/C(=C\CSc1ccc(C)c(C)c1)C(=O)[O-] ZINC000084001385 601097783 /nfs/dbraw/zinc/09/77/83/601097783.db2.gz GDSQQEGGRUXILE-UXBLZVDNSA-N -1 0 236.336 3.426 20 0 BGADRM C/C(=C\CSc1ccccc1Cl)C(=O)[O-] ZINC000084001411 601096980 /nfs/dbraw/zinc/09/69/80/601096980.db2.gz XOVFAEYKBYWCKP-SOFGYWHQSA-N -1 0 242.727 3.463 20 0 BGADRM C/C(=C\CSc1ccc(C)cc1C)C(=O)[O-] ZINC000084001413 601097921 /nfs/dbraw/zinc/09/79/21/601097921.db2.gz ZMSMPBJEVBVDBC-UXBLZVDNSA-N -1 0 236.336 3.426 20 0 BGADRM C/C(=C\CSc1cc(C)ccc1C)C(=O)[O-] ZINC000084001416 601097734 /nfs/dbraw/zinc/09/77/34/601097734.db2.gz FMSJSNFKNOPEPL-IZZDOVSWSA-N -1 0 236.336 3.426 20 0 BGADRM C/C(=C\CSc1ccc(F)c(F)c1)C(=O)[O-] ZINC000084001463 601098407 /nfs/dbraw/zinc/09/84/07/601098407.db2.gz FUGWRBBXIQSNCD-QPJJXVBHSA-N -1 0 244.262 3.088 20 0 BGADRM C/C(=C\CSc1cc(F)ccc1F)C(=O)[O-] ZINC000084001474 600725596 /nfs/dbraw/zinc/72/55/96/600725596.db2.gz TVWFZWKOGQIETL-QPJJXVBHSA-N -1 0 244.262 3.088 20 0 BGADRM C/C(=C\CSc1ccc(F)cc1F)C(=O)[O-] ZINC000084001478 601098308 /nfs/dbraw/zinc/09/83/08/601098308.db2.gz RJUDBLLOQLGOIJ-QPJJXVBHSA-N -1 0 244.262 3.088 20 0 BGADRM C/C(=C\CSc1ccccc1C)C(=O)[O-] ZINC000084001511 601099010 /nfs/dbraw/zinc/09/90/10/601099010.db2.gz URBIIEDZNQEIHY-JXMROGBWSA-N -1 0 222.309 3.118 20 0 BGADRM C/C(=C\CSC1CCCCC1)C(=O)[O-] ZINC000084001522 600724736 /nfs/dbraw/zinc/72/47/36/600724736.db2.gz OYAYDQTXMKFBHD-VQHVLOKHSA-N -1 0 214.330 3.083 20 0 BGADRM C/C(=C\CSc1cccc(C)c1)C(=O)[O-] ZINC000084001542 601099054 /nfs/dbraw/zinc/09/90/54/601099054.db2.gz RFRDGODGBGMLCW-UXBLZVDNSA-N -1 0 222.309 3.118 20 0 BGADRM C/C(=C\CSc1cccc(Cl)c1)C(=O)[O-] ZINC000084001663 601098964 /nfs/dbraw/zinc/09/89/64/601098964.db2.gz DRNXUBJOOILGIK-VMPITWQZSA-N -1 0 242.727 3.463 20 0 BGADRM C/C(=C\CSCc1ccccc1C)C(=O)[O-] ZINC000084001684 600724653 /nfs/dbraw/zinc/72/46/53/600724653.db2.gz VOUDIRQJKUXUKO-YRNVUSSQSA-N -1 0 236.336 3.259 20 0 BGADRM Cc1ccc(-c2ccccc2C(=O)[O-])s1 ZINC000084005792 178326361 /nfs/dbraw/zinc/32/63/61/178326361.db2.gz MGXZTUTVRMIWOQ-UHFFFAOYSA-N -1 0 218.277 3.422 20 0 BGADRM Cc1ccc(-c2cccc(C(=O)[O-])c2)s1 ZINC000084005798 178326424 /nfs/dbraw/zinc/32/64/24/178326424.db2.gz VDCABPDQBAMLFC-UHFFFAOYSA-N -1 0 218.277 3.422 20 0 BGADRM Cc1ccc2c(C)cc(SCC(=O)[O-])nc2c1 ZINC000084078503 368846976 /nfs/dbraw/zinc/84/69/76/368846976.db2.gz IVQGBAIKYLNEEI-UHFFFAOYSA-N -1 0 247.319 3.028 20 0 BGADRM Cc1cc(NC2CCCC2)ccc1C(=O)[O-] ZINC000084487923 343531363 /nfs/dbraw/zinc/53/13/63/343531363.db2.gz TVLBJOLPSOQKHF-UHFFFAOYSA-N -1 0 219.284 3.048 20 0 BGADRM Cc1cc(NC2CCCCC2)ccc1C(=O)[O-] ZINC000084518030 368857003 /nfs/dbraw/zinc/85/70/03/368857003.db2.gz ZHMKZQQHXCUMDJ-UHFFFAOYSA-N -1 0 233.311 3.438 20 0 BGADRM Cc1cc(NCc2ccccc2)ccc1C(=O)[O-] ZINC000084547148 600283935 /nfs/dbraw/zinc/28/39/35/600283935.db2.gz FQZVFYYJIJAGNA-UHFFFAOYSA-N -1 0 241.290 3.305 20 0 BGADRM O=C([O-])c1ccc(NCc2ccccc2)cc1F ZINC000084556871 602302009 /nfs/dbraw/zinc/30/20/09/602302009.db2.gz DQBNLGVFUHCQJZ-UHFFFAOYSA-N -1 0 245.253 3.136 20 0 BGADRM Cc1cccc(Nc2cccc(C(=O)[O-])c2)c1 ZINC000084713303 179158469 /nfs/dbraw/zinc/15/84/69/179158469.db2.gz VTTJXTWWEMXBNA-UHFFFAOYSA-N -1 0 227.263 3.437 20 0 BGADRM C[C@@H](CSC/C=C/c1ccccc1)C(=O)[O-] ZINC000084877168 600602318 /nfs/dbraw/zinc/60/23/18/600602318.db2.gz OUMQALURSVRQMI-BWNDKRECSA-N -1 0 236.336 3.154 20 0 BGADRM C[C@H](CSC/C=C/c1ccccc1)C(=O)[O-] ZINC000084877170 600602296 /nfs/dbraw/zinc/60/22/96/600602296.db2.gz OUMQALURSVRQMI-AYLMVEPYSA-N -1 0 236.336 3.154 20 0 BGADRM C[C@@H]1CC(Nc2cccc(C(=O)[O-])n2)C[C@@H](C)C1 ZINC000084978998 604714108 /nfs/dbraw/zinc/71/41/08/604714108.db2.gz GIYCLDDABYXKHX-UWVGGRQHSA-N -1 0 248.326 3.016 20 0 BGADRM C[C@H]1CC(Nc2cccc(C(=O)[O-])n2)C[C@H](C)C1 ZINC000084979000 604714061 /nfs/dbraw/zinc/71/40/61/604714061.db2.gz GIYCLDDABYXKHX-NXEZZACHSA-N -1 0 248.326 3.016 20 0 BGADRM C[C@@H](CC(=O)[O-])SCc1cccc(F)c1F ZINC000085157166 600588956 /nfs/dbraw/zinc/58/89/56/600588956.db2.gz WBAHGAGKMMTPEC-ZETCQYMHSA-N -1 0 246.278 3.061 20 0 BGADRM C[C@H](CC(=O)[O-])SCc1cccc(F)c1F ZINC000085157168 600588812 /nfs/dbraw/zinc/58/88/12/600588812.db2.gz WBAHGAGKMMTPEC-SSDOTTSWSA-N -1 0 246.278 3.061 20 0 BGADRM C[C@@H](CC(=O)[O-])SCc1ccccc1Cl ZINC000085157320 600590459 /nfs/dbraw/zinc/59/04/59/600590459.db2.gz OYYTYWGSKISNPV-QMMMGPOBSA-N -1 0 244.743 3.436 20 0 BGADRM C[C@H](CC(=O)[O-])SCc1ccccc1Cl ZINC000085157322 600590511 /nfs/dbraw/zinc/59/05/11/600590511.db2.gz OYYTYWGSKISNPV-MRVPVSSYSA-N -1 0 244.743 3.436 20 0 BGADRM Cc1cc(C)cc(CS[C@@H](C)CC(=O)[O-])c1 ZINC000085157400 600587371 /nfs/dbraw/zinc/58/73/71/600587371.db2.gz NSODKCZTDZSUFN-NSHDSACASA-N -1 0 238.352 3.400 20 0 BGADRM Cc1cc(C)cc(CS[C@H](C)CC(=O)[O-])c1 ZINC000085157402 600587104 /nfs/dbraw/zinc/58/71/04/600587104.db2.gz NSODKCZTDZSUFN-LLVKDONJSA-N -1 0 238.352 3.400 20 0 BGADRM C[C@@H](CC(=O)[O-])SCCCc1ccccc1 ZINC000085157537 600590458 /nfs/dbraw/zinc/59/04/58/600590458.db2.gz JEXFUNPSHQLFAS-NSHDSACASA-N -1 0 238.352 3.216 20 0 BGADRM C[C@H](CC(=O)[O-])SCCCc1ccccc1 ZINC000085157538 600590601 /nfs/dbraw/zinc/59/06/01/600590601.db2.gz JEXFUNPSHQLFAS-LLVKDONJSA-N -1 0 238.352 3.216 20 0 BGADRM C[C@@H](CC(=O)[O-])SCc1ccc(F)cc1F ZINC000085157810 601546002 /nfs/dbraw/zinc/54/60/02/601546002.db2.gz JBWKIYYXHBJYIP-ZETCQYMHSA-N -1 0 246.278 3.061 20 0 BGADRM C[C@H](CC(=O)[O-])SCc1ccc(F)cc1F ZINC000085157811 601546020 /nfs/dbraw/zinc/54/60/20/601546020.db2.gz JBWKIYYXHBJYIP-SSDOTTSWSA-N -1 0 246.278 3.061 20 0 BGADRM C[C@@H](CC(=O)[O-])SC/C=C/c1ccccc1 ZINC000085157899 600588752 /nfs/dbraw/zinc/58/87/52/600588752.db2.gz WZZUVWFUTZAGAC-BWNDKRECSA-N -1 0 236.336 3.296 20 0 BGADRM C[C@H](CC(=O)[O-])SC/C=C/c1ccccc1 ZINC000085157901 600588709 /nfs/dbraw/zinc/58/87/09/600588709.db2.gz WZZUVWFUTZAGAC-AYLMVEPYSA-N -1 0 236.336 3.296 20 0 BGADRM CCCCCCS[C@@H](C)CC(=O)[O-] ZINC000085157914 600584899 /nfs/dbraw/zinc/58/48/99/600584899.db2.gz OLWJRPZJKMYHCF-VIFPVBQESA-N -1 0 204.335 3.163 20 0 BGADRM CCCCCCS[C@H](C)CC(=O)[O-] ZINC000085157916 600584720 /nfs/dbraw/zinc/58/47/20/600584720.db2.gz OLWJRPZJKMYHCF-SECBINFHSA-N -1 0 204.335 3.163 20 0 BGADRM C[C@@H](CC(=O)[O-])SCc1cccc(Cl)c1 ZINC000085157918 600587368 /nfs/dbraw/zinc/58/73/68/600587368.db2.gz ZATRZDPJUNZEDM-QMMMGPOBSA-N -1 0 244.743 3.436 20 0 BGADRM C[C@H](CC(=O)[O-])SCc1cccc(Cl)c1 ZINC000085157920 600587323 /nfs/dbraw/zinc/58/73/23/600587323.db2.gz ZATRZDPJUNZEDM-MRVPVSSYSA-N -1 0 244.743 3.436 20 0 BGADRM Cc1ccc(CS[C@@H](C)CC(=O)[O-])cc1 ZINC000085157923 600592209 /nfs/dbraw/zinc/59/22/09/600592209.db2.gz MDZJJNIWNKWHHA-JTQLQIEISA-N -1 0 224.325 3.091 20 0 BGADRM Cc1ccc(CS[C@H](C)CC(=O)[O-])cc1 ZINC000085157924 600592238 /nfs/dbraw/zinc/59/22/38/600592238.db2.gz MDZJJNIWNKWHHA-SNVBAGLBSA-N -1 0 224.325 3.091 20 0 BGADRM C[C@@H](CC(=O)[O-])S[C@@H](C)c1ccccc1 ZINC000085157950 600592282 /nfs/dbraw/zinc/59/22/82/600592282.db2.gz ZNUOIYVOLZQSAF-UWVGGRQHSA-N -1 0 224.325 3.344 20 0 BGADRM C[C@H](CC(=O)[O-])S[C@@H](C)c1ccccc1 ZINC000085157952 600592246 /nfs/dbraw/zinc/59/22/46/600592246.db2.gz ZNUOIYVOLZQSAF-ZJUUUORDSA-N -1 0 224.325 3.344 20 0 BGADRM C[C@@H](S[C@@H](C)CC(=O)[O-])c1ccccc1 ZINC000085157954 600592193 /nfs/dbraw/zinc/59/21/93/600592193.db2.gz ZNUOIYVOLZQSAF-VHSXEESVSA-N -1 0 224.325 3.344 20 0 BGADRM C[C@H](CC(=O)[O-])S[C@H](C)c1ccccc1 ZINC000085157957 600592285 /nfs/dbraw/zinc/59/22/85/600592285.db2.gz ZNUOIYVOLZQSAF-NXEZZACHSA-N -1 0 224.325 3.344 20 0 BGADRM CCc1ccc(CS[C@@H](C)CC(=O)[O-])cc1 ZINC000085158203 600274446 /nfs/dbraw/zinc/27/44/46/600274446.db2.gz MMHLVTXQYLIKSP-JTQLQIEISA-N -1 0 238.352 3.345 20 0 BGADRM CCc1ccc(CS[C@H](C)CC(=O)[O-])cc1 ZINC000085158205 600274544 /nfs/dbraw/zinc/27/45/44/600274544.db2.gz MMHLVTXQYLIKSP-SNVBAGLBSA-N -1 0 238.352 3.345 20 0 BGADRM C[C@@H](CC(=O)[O-])SCc1ccc(Cl)cc1 ZINC000085158336 600583900 /nfs/dbraw/zinc/58/39/00/600583900.db2.gz HLYQWMCTTXKMAJ-QMMMGPOBSA-N -1 0 244.743 3.436 20 0 BGADRM C[C@H](CC(=O)[O-])SCc1ccc(Cl)cc1 ZINC000085158339 600584037 /nfs/dbraw/zinc/58/40/37/600584037.db2.gz HLYQWMCTTXKMAJ-MRVPVSSYSA-N -1 0 244.743 3.436 20 0 BGADRM C[C@@H](CC(=O)[O-])SCc1cc(F)ccc1F ZINC000085158516 600585660 /nfs/dbraw/zinc/58/56/60/600585660.db2.gz AMMJYWUWOUAOKI-ZETCQYMHSA-N -1 0 246.278 3.061 20 0 BGADRM C[C@H](CC(=O)[O-])SCc1cc(F)ccc1F ZINC000085158517 600585672 /nfs/dbraw/zinc/58/56/72/600585672.db2.gz AMMJYWUWOUAOKI-SSDOTTSWSA-N -1 0 246.278 3.061 20 0 BGADRM Cc1ccc(C)c(CS[C@@H](C)CC(=O)[O-])c1 ZINC000085158615 600585650 /nfs/dbraw/zinc/58/56/50/600585650.db2.gz JVACZVXZRDYSRU-NSHDSACASA-N -1 0 238.352 3.400 20 0 BGADRM Cc1ccc(C)c(CS[C@H](C)CC(=O)[O-])c1 ZINC000085158617 600585656 /nfs/dbraw/zinc/58/56/56/600585656.db2.gz JVACZVXZRDYSRU-LLVKDONJSA-N -1 0 238.352 3.400 20 0 BGADRM CC(C)CCO[N-]C(=O)C(C)(C)c1ccccc1 ZINC000085262372 644437936 /nfs/dbraw/zinc/43/79/36/644437936.db2.gz HAIXDOFEGLZWBX-UHFFFAOYSA-N -1 0 249.354 3.058 20 0 BGADRM Cc1sccc1-c1ccccc1C(=O)[O-] ZINC000085477524 385197891 /nfs/dbraw/zinc/19/78/91/385197891.db2.gz VVYSHUBEEYYGJK-UHFFFAOYSA-N -1 0 218.277 3.422 20 0 BGADRM O=C([O-])c1ccc(OC/C(Cl)=C/Cl)cc1 ZINC000085976366 600901520 /nfs/dbraw/zinc/90/15/20/600901520.db2.gz WXLIGTBLXXKSMK-YVMONPNESA-N -1 0 247.077 3.083 20 0 BGADRM O=C([O-])c1cccc(OC/C(Cl)=C/Cl)c1 ZINC000085976367 601954741 /nfs/dbraw/zinc/95/47/41/601954741.db2.gz QIZAIPGYJNLRAT-YVMONPNESA-N -1 0 247.077 3.083 20 0 BGADRM O=C([O-])c1coc(-c2csc(C3CCC3)n2)c1 ZINC000086486664 602148460 /nfs/dbraw/zinc/14/84/60/602148460.db2.gz SBNHFAGECBTUMN-UHFFFAOYSA-N -1 0 249.291 3.369 20 0 BGADRM Cc1ccsc1-c1ccc(C(=O)[O-])cc1 ZINC000087018909 385066269 /nfs/dbraw/zinc/06/62/69/385066269.db2.gz VDNRRWXFWOZAGP-UHFFFAOYSA-N -1 0 218.277 3.422 20 0 BGADRM Cc1ccsc1-c1ccccc1C(=O)[O-] ZINC000087018924 368887635 /nfs/dbraw/zinc/88/76/35/368887635.db2.gz BAUQPXCQGGMPJP-UHFFFAOYSA-N -1 0 218.277 3.422 20 0 BGADRM Cc1ccsc1-c1cccc(C(=O)[O-])c1 ZINC000087018932 388588267 /nfs/dbraw/zinc/58/82/67/388588267.db2.gz FYFOEBIKMHZLAB-UHFFFAOYSA-N -1 0 218.277 3.422 20 0 BGADRM CCC(CC)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000087156527 487613748 /nfs/dbraw/zinc/61/37/48/487613748.db2.gz KICMHLMBLVKEOK-UHFFFAOYSA-N -1 0 221.300 3.294 20 0 BGADRM CC[C@H](SCc1cc(C)cc(C)c1)C(=O)[O-] ZINC000087196876 601818064 /nfs/dbraw/zinc/81/80/64/601818064.db2.gz MFASECFWDFSBNI-LBPRGKRZSA-N -1 0 238.352 3.400 20 0 BGADRM CC[C@@H](SCc1cc(C)cc(C)c1)C(=O)[O-] ZINC000087196877 601818166 /nfs/dbraw/zinc/81/81/66/601818166.db2.gz MFASECFWDFSBNI-GFCCVEGCSA-N -1 0 238.352 3.400 20 0 BGADRM O=C([O-])c1ccc(-c2ccc(Cl)s2)cn1 ZINC000087336969 182561047 /nfs/dbraw/zinc/56/10/47/182561047.db2.gz UZZLUZVXTOVNGS-UHFFFAOYSA-N -1 0 239.683 3.162 20 0 BGADRM Cc1cc(C)cc(CSCCCC(=O)[O-])c1 ZINC000087555514 601812159 /nfs/dbraw/zinc/81/21/59/601812159.db2.gz RRQSSQBTDIENKG-UHFFFAOYSA-N -1 0 238.352 3.401 20 0 BGADRM CCCCCCNc1nc(C)c(C(=O)[O-])s1 ZINC000087656583 599734181 /nfs/dbraw/zinc/73/41/81/599734181.db2.gz BXCLPBIBGYJSDO-UHFFFAOYSA-N -1 0 242.344 3.142 20 0 BGADRM O=C([O-])c1cnccc1SC1CCCCC1 ZINC000088110018 368904688 /nfs/dbraw/zinc/90/46/88/368904688.db2.gz PQIXBAPSSBZUIF-UHFFFAOYSA-N -1 0 237.324 3.205 20 0 BGADRM Cc1cc(N[C@@H](C)C(C)C)ccc1C(=O)[O-] ZINC000088124853 362905113 /nfs/dbraw/zinc/90/51/13/362905113.db2.gz BJUDUVOHGTZRBL-JTQLQIEISA-N -1 0 221.300 3.150 20 0 BGADRM Cc1cc(N[C@H](C)C(C)C)ccc1C(=O)[O-] ZINC000088124854 343707577 /nfs/dbraw/zinc/70/75/77/343707577.db2.gz BJUDUVOHGTZRBL-SNVBAGLBSA-N -1 0 221.300 3.150 20 0 BGADRM Cc1cc(NCC(C)(C)C)ccc1C(=O)[O-] ZINC000088124875 362904837 /nfs/dbraw/zinc/90/48/37/362904837.db2.gz LCHOOPSRBDCDNK-UHFFFAOYSA-N -1 0 221.300 3.151 20 0 BGADRM O=C([O-])CCCN(CC1CCC1)c1ccccc1 ZINC000088133792 601610793 /nfs/dbraw/zinc/61/07/93/601610793.db2.gz PAVBERUATHRECO-UHFFFAOYSA-N -1 0 247.338 3.158 20 0 BGADRM CCN(CC1(CC(=O)[O-])CC1)c1cccc(C)c1 ZINC000088255986 368908683 /nfs/dbraw/zinc/90/86/83/368908683.db2.gz ONTVJHAWIXALBL-UHFFFAOYSA-N -1 0 247.338 3.076 20 0 BGADRM O=C([O-])CCCCN1CCCCc2ccccc21 ZINC000088334030 359947323 /nfs/dbraw/zinc/94/73/23/359947323.db2.gz SPYDGFYYVGPLRL-UHFFFAOYSA-N -1 0 247.338 3.084 20 0 BGADRM CC[C@@H](C)CSc1n[nH]c(-c2ccccn2)n1 ZINC000088500535 359963152 /nfs/dbraw/zinc/96/31/52/359963152.db2.gz QCEXEUDGDLUXPA-SECBINFHSA-N -1 0 248.355 3.005 20 0 BGADRM CC[C@H](C)CSc1n[nH]c(-c2ccccn2)n1 ZINC000088500536 359963315 /nfs/dbraw/zinc/96/33/15/359963315.db2.gz QCEXEUDGDLUXPA-VIFPVBQESA-N -1 0 248.355 3.005 20 0 BGADRM C/C(=C\CSc1ccc2c(c1)CCC2)C(=O)[O-] ZINC000088629951 600725715 /nfs/dbraw/zinc/72/57/15/600725715.db2.gz VKBJMNMXYURUES-JXMROGBWSA-N -1 0 248.347 3.298 20 0 BGADRM CCCCCc1ccc(N[C@@H](C)C(=O)[O-])cc1 ZINC000090273151 600731992 /nfs/dbraw/zinc/73/19/92/600731992.db2.gz CCESWTWPRPJIRQ-NSHDSACASA-N -1 0 235.327 3.304 20 0 BGADRM CCCCCc1ccc(N[C@H](C)C(=O)[O-])cc1 ZINC000090273152 600731880 /nfs/dbraw/zinc/73/18/80/600731880.db2.gz CCESWTWPRPJIRQ-LLVKDONJSA-N -1 0 235.327 3.304 20 0 BGADRM Cc1ccc(C)c(N(C(=O)[O-])C(C)C)c1 ZINC000090377417 602433420 /nfs/dbraw/zinc/43/34/20/602433420.db2.gz ZEZKBGNRZYUUBW-UHFFFAOYSA-N -1 0 207.273 3.196 20 0 BGADRM Cc1cscc1-c1cccc(C(=O)[O-])c1 ZINC000090686618 487983261 /nfs/dbraw/zinc/98/32/61/487983261.db2.gz OLIDNKIHLUQSMT-UHFFFAOYSA-N -1 0 218.277 3.422 20 0 BGADRM Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)c(O)c1 ZINC000091492365 360116952 /nfs/dbraw/zinc/11/69/52/360116952.db2.gz AWFORHPTHSQGFY-UHFFFAOYSA-N -1 0 247.338 3.321 20 0 BGADRM O=C([O-])c1cccc(CSc2ccncc2)c1 ZINC000094613708 601546693 /nfs/dbraw/zinc/54/66/93/601546693.db2.gz FDUAMRSIXSKVLM-UHFFFAOYSA-N -1 0 245.303 3.072 20 0 BGADRM C[C@H](Sc1ccncc1)c1ccc(C(=O)[O-])o1 ZINC000094613716 601547229 /nfs/dbraw/zinc/54/72/29/601547229.db2.gz HRVBYZKMKMSFAO-QMMMGPOBSA-N -1 0 249.291 3.226 20 0 BGADRM C[C@@H](Sc1ccncc1)c1ccc(C(=O)[O-])o1 ZINC000094613717 601547195 /nfs/dbraw/zinc/54/71/95/601547195.db2.gz HRVBYZKMKMSFAO-MRVPVSSYSA-N -1 0 249.291 3.226 20 0 BGADRM O=C([O-])c1ccccc1CSc1ccncc1 ZINC000094613726 604789663 /nfs/dbraw/zinc/78/96/63/604789663.db2.gz INMKSJOZYGQENL-UHFFFAOYSA-N -1 0 245.303 3.072 20 0 BGADRM CN(C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000096330911 602668075 /nfs/dbraw/zinc/66/80/75/602668075.db2.gz DADIIQOHKSQHEW-UHFFFAOYSA-N -1 0 207.273 3.098 20 0 BGADRM Cc1nc(Nc2cccc(C(=O)[O-])c2)sc1C ZINC000096781083 188147674 /nfs/dbraw/zinc/14/76/74/188147674.db2.gz MOFLUUSSHBGYOF-UHFFFAOYSA-N -1 0 248.307 3.202 20 0 BGADRM CC[C@H](Sc1ccnc2ccccc21)C(=O)[O-] ZINC000097824429 600029075 /nfs/dbraw/zinc/02/90/75/600029075.db2.gz MUFKSJVJALNXCY-NSHDSACASA-N -1 0 247.319 3.190 20 0 BGADRM CC[C@@H](Sc1ccnc2ccccc21)C(=O)[O-] ZINC000097824430 600029214 /nfs/dbraw/zinc/02/92/14/600029214.db2.gz MUFKSJVJALNXCY-LLVKDONJSA-N -1 0 247.319 3.190 20 0 BGADRM CCCc1cc(=O)n(-c2ccccc2Cl)[n-]1 ZINC000100217472 384623577 /nfs/dbraw/zinc/62/35/77/384623577.db2.gz IXMWOTVYGCULHC-UHFFFAOYSA-N -1 0 236.702 3.233 20 0 BGADRM CC(C)c1cc(=O)n(-c2ccccc2Cl)[n-]1 ZINC000100235136 384625711 /nfs/dbraw/zinc/62/57/11/384625711.db2.gz OWYAZBGNPIAAPD-UHFFFAOYSA-N -1 0 236.702 3.089 20 0 BGADRM Cc1ccc(C)c(-n2[n-]c(C(C)C)cc2=O)c1 ZINC000101407474 410135825 /nfs/dbraw/zinc/13/58/25/410135825.db2.gz RYSZUUHHSOQSNH-UHFFFAOYSA-N -1 0 230.311 3.052 20 0 BGADRM Cc1ccc(-n2[n-]c(C(C)C)cc2=O)c(C)c1 ZINC000101633737 410780855 /nfs/dbraw/zinc/78/08/55/410780855.db2.gz SOOUONKGIOTIPN-UHFFFAOYSA-N -1 0 230.311 3.052 20 0 BGADRM Cc1cc(C)cc(-n2[n-]c(C(C)C)cc2=O)c1 ZINC000102305237 410829130 /nfs/dbraw/zinc/82/91/30/410829130.db2.gz IPQQJGSVGNNMRT-UHFFFAOYSA-N -1 0 230.311 3.052 20 0 BGADRM CN(Cc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000103920222 601936167 /nfs/dbraw/zinc/93/61/67/601936167.db2.gz ZEGVOTVLBWINTE-UHFFFAOYSA-N -1 0 247.319 3.083 20 0 BGADRM O=c1c2c([n-]n1-c1cccc(F)c1)CCCCC2 ZINC000104060653 182838483 /nfs/dbraw/zinc/83/84/83/182838483.db2.gz RXZGAEBWMZRZFY-GFCCVEGCSA-N -1 0 246.285 3.109 20 0 BGADRM O=c1c2c([n-]n1-c1cccc(F)c1)CCCCC2 ZINC000104060656 410922727 /nfs/dbraw/zinc/92/27/27/410922727.db2.gz RXZGAEBWMZRZFY-LBPRGKRZSA-N -1 0 246.285 3.109 20 0 BGADRM CCc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C ZINC000104148681 410926565 /nfs/dbraw/zinc/92/65/65/410926565.db2.gz PPGKFIOADOVCQP-MRVPVSSYSA-N -1 0 236.702 3.089 20 0 BGADRM CCc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C ZINC000104148685 410927077 /nfs/dbraw/zinc/92/70/77/410927077.db2.gz PPGKFIOADOVCQP-QMMMGPOBSA-N -1 0 236.702 3.089 20 0 BGADRM CCc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C ZINC000104149317 410927048 /nfs/dbraw/zinc/92/70/48/410927048.db2.gz ZBGVYMMWAVSRTP-MRVPVSSYSA-N -1 0 236.702 3.089 20 0 BGADRM CCc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C ZINC000104149322 410925338 /nfs/dbraw/zinc/92/53/38/410925338.db2.gz ZBGVYMMWAVSRTP-QMMMGPOBSA-N -1 0 236.702 3.089 20 0 BGADRM CCc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C ZINC000104159149 410926910 /nfs/dbraw/zinc/92/69/10/410926910.db2.gz LOUBWFCGOLZKTJ-LLVKDONJSA-N -1 0 230.311 3.052 20 0 BGADRM CCc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C ZINC000104159152 410925754 /nfs/dbraw/zinc/92/57/54/410925754.db2.gz LOUBWFCGOLZKTJ-NSHDSACASA-N -1 0 230.311 3.052 20 0 BGADRM CCc1[n-]n(-c2cc(C)cc(C)c2)c(=O)c1C ZINC000104159155 410926670 /nfs/dbraw/zinc/92/66/70/410926670.db2.gz HAZBPARLCHFACL-LLVKDONJSA-N -1 0 230.311 3.052 20 0 BGADRM CCc1[n-]n(-c2cc(C)cc(C)c2)c(=O)c1C ZINC000104159159 410926609 /nfs/dbraw/zinc/92/66/09/410926609.db2.gz HAZBPARLCHFACL-NSHDSACASA-N -1 0 230.311 3.052 20 0 BGADRM CCCc1cc(=O)n(C2CCCCCC2)[n-]1 ZINC000104313607 410931586 /nfs/dbraw/zinc/93/15/86/410931586.db2.gz WSQLEGNOPKQMKQ-UHFFFAOYSA-N -1 0 222.332 3.098 20 0 BGADRM CCC[C@@H](C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000104342687 169353284 /nfs/dbraw/zinc/35/32/84/169353284.db2.gz YLYDBTBGEYEOJZ-SNVBAGLBSA-N -1 0 249.310 3.068 20 0 BGADRM CCC[C@H](C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000104342693 384820462 /nfs/dbraw/zinc/82/04/62/384820462.db2.gz YLYDBTBGEYEOJZ-JTQLQIEISA-N -1 0 249.310 3.068 20 0 BGADRM Cc1cc(F)ccc1-n1[n-]c2c(c1=O)CCCC2 ZINC000104428803 178088648 /nfs/dbraw/zinc/08/86/48/178088648.db2.gz VWZGXYZJRLIZHA-LLVKDONJSA-N -1 0 246.285 3.027 20 0 BGADRM Cc1cc(F)ccc1-n1[n-]c2c(c1=O)CCCC2 ZINC000104428809 178088278 /nfs/dbraw/zinc/08/82/78/178088278.db2.gz VWZGXYZJRLIZHA-NSHDSACASA-N -1 0 246.285 3.027 20 0 BGADRM O=c1c2c([n-]n1-c1ccc(Cl)cc1)CCCC2 ZINC000104708840 410947932 /nfs/dbraw/zinc/94/79/32/410947932.db2.gz WCNCJSZPIXYVJQ-LLVKDONJSA-N -1 0 248.713 3.233 20 0 BGADRM O=c1c2c([n-]n1-c1ccc(Cl)cc1)CCCC2 ZINC000104708843 410948776 /nfs/dbraw/zinc/94/87/76/410948776.db2.gz WCNCJSZPIXYVJQ-NSHDSACASA-N -1 0 248.713 3.233 20 0 BGADRM O=c1c2c([n-]n1-c1cccc(Cl)c1)CCCC2 ZINC000104708947 410948498 /nfs/dbraw/zinc/94/84/98/410948498.db2.gz ROCUYJMMYBPAGW-LLVKDONJSA-N -1 0 248.713 3.233 20 0 BGADRM O=c1c2c([n-]n1-c1cccc(Cl)c1)CCCC2 ZINC000104708951 410948036 /nfs/dbraw/zinc/94/80/36/410948036.db2.gz ROCUYJMMYBPAGW-NSHDSACASA-N -1 0 248.713 3.233 20 0 BGADRM Cc1ccc(C)c(-n2[n-]c3c(c2=O)CCCC3)c1 ZINC000104708966 410947026 /nfs/dbraw/zinc/94/70/26/410947026.db2.gz YWQBAMZVNDKAHF-GFCCVEGCSA-N -1 0 242.322 3.196 20 0 BGADRM Cc1ccc(C)c(-n2[n-]c3c(c2=O)CCCC3)c1 ZINC000104708972 410948183 /nfs/dbraw/zinc/94/81/83/410948183.db2.gz YWQBAMZVNDKAHF-LBPRGKRZSA-N -1 0 242.322 3.196 20 0 BGADRM O=c1c2c([n-]n1-c1ccccc1Cl)CCCC2 ZINC000104708993 410948196 /nfs/dbraw/zinc/94/81/96/410948196.db2.gz MVURRXICUPCKFB-SECBINFHSA-N -1 0 248.713 3.233 20 0 BGADRM O=c1c2c([n-]n1-c1ccccc1Cl)CCCC2 ZINC000104708996 410947810 /nfs/dbraw/zinc/94/78/10/410947810.db2.gz MVURRXICUPCKFB-VIFPVBQESA-N -1 0 248.713 3.233 20 0 BGADRM Cc1ccc(-n2[n-]c3c(c2=O)CCCC3)c(C)c1 ZINC000104709001 410948554 /nfs/dbraw/zinc/94/85/54/410948554.db2.gz GWXBOOKQRDBVKK-GFCCVEGCSA-N -1 0 242.322 3.196 20 0 BGADRM Cc1ccc(-n2[n-]c3c(c2=O)CCCC3)c(C)c1 ZINC000104709005 410948157 /nfs/dbraw/zinc/94/81/57/410948157.db2.gz GWXBOOKQRDBVKK-LBPRGKRZSA-N -1 0 242.322 3.196 20 0 BGADRM Cc1cc(C)cc(-n2[n-]c3c(c2=O)CCCC3)c1 ZINC000104709019 410947586 /nfs/dbraw/zinc/94/75/86/410947586.db2.gz DNLNRJJAQLCVIA-CYBMUJFWSA-N -1 0 242.322 3.196 20 0 BGADRM Cc1cc(C)cc(-n2[n-]c3c(c2=O)CCCC3)c1 ZINC000104709021 410948269 /nfs/dbraw/zinc/94/82/69/410948269.db2.gz DNLNRJJAQLCVIA-ZDUSSCGKSA-N -1 0 242.322 3.196 20 0 BGADRM Cc1ccccc1-n1[n-]c2c(c1=O)CCCCC2 ZINC000105668686 369061252 /nfs/dbraw/zinc/06/12/52/369061252.db2.gz GJWIMPZZIWEOKX-GFCCVEGCSA-N -1 0 242.322 3.278 20 0 BGADRM Cc1ccccc1-n1[n-]c2c(c1=O)CCCCC2 ZINC000105668689 369061683 /nfs/dbraw/zinc/06/16/83/369061683.db2.gz GJWIMPZZIWEOKX-LBPRGKRZSA-N -1 0 242.322 3.278 20 0 BGADRM Cc1cccc(-n2[n-]c3c(c2=O)CCCCC3)c1 ZINC000105668796 369061863 /nfs/dbraw/zinc/06/18/63/369061863.db2.gz GZPAZGLBLRHCMS-CYBMUJFWSA-N -1 0 242.322 3.278 20 0 BGADRM Cc1cccc(-n2[n-]c3c(c2=O)CCCCC3)c1 ZINC000105668799 369062168 /nfs/dbraw/zinc/06/21/68/369062168.db2.gz GZPAZGLBLRHCMS-ZDUSSCGKSA-N -1 0 242.322 3.278 20 0 BGADRM O=c1c2c([n-]n1-c1ccc(F)cc1)CCCCC2 ZINC000105668890 369061434 /nfs/dbraw/zinc/06/14/34/369061434.db2.gz PKUYEXLZDASRID-GFCCVEGCSA-N -1 0 246.285 3.109 20 0 BGADRM O=c1c2c([n-]n1-c1ccc(F)cc1)CCCCC2 ZINC000105668894 369061623 /nfs/dbraw/zinc/06/16/23/369061623.db2.gz PKUYEXLZDASRID-LBPRGKRZSA-N -1 0 246.285 3.109 20 0 BGADRM O=c1c2c([n-]n1-c1ccccc1F)CCCCC2 ZINC000107892487 369367731 /nfs/dbraw/zinc/36/77/31/369367731.db2.gz DKIODTWTMGYDJV-SNVBAGLBSA-N -1 0 246.285 3.109 20 0 BGADRM O=c1c2c([n-]n1-c1ccccc1F)CCCCC2 ZINC000107892492 369367559 /nfs/dbraw/zinc/36/75/59/369367559.db2.gz DKIODTWTMGYDJV-JTQLQIEISA-N -1 0 246.285 3.109 20 0 BGADRM CCc1ccccc1NC1CCC(C(=O)[O-])CC1 ZINC000108247749 398327460 /nfs/dbraw/zinc/32/74/60/398327460.db2.gz ALFAPGKTCVQVRX-UHFFFAOYSA-N -1 0 247.338 3.304 20 0 BGADRM Cc1cccc(NC2CCC(C(=O)[O-])CC2)c1C ZINC000108247759 387531787 /nfs/dbraw/zinc/53/17/87/387531787.db2.gz VEUXWCBHFIUNQM-UHFFFAOYSA-N -1 0 247.338 3.359 20 0 BGADRM Cc1ccc(C)c(NC2CCC(C(=O)[O-])CC2)c1 ZINC000108247760 178483604 /nfs/dbraw/zinc/48/36/04/178483604.db2.gz BIMAKWJNWMJSKN-UHFFFAOYSA-N -1 0 247.338 3.359 20 0 BGADRM Cc1ccc(NC2CCC(C(=O)[O-])CC2)cc1C ZINC000108247774 178757150 /nfs/dbraw/zinc/75/71/50/178757150.db2.gz YBYJAHRWXRDQNP-UHFFFAOYSA-N -1 0 247.338 3.359 20 0 BGADRM Cc1cccc(NC2CCC(C(=O)[O-])CC2)c1 ZINC000108247823 398327448 /nfs/dbraw/zinc/32/74/48/398327448.db2.gz GYWNSHXFBHHTHA-UHFFFAOYSA-N -1 0 233.311 3.050 20 0 BGADRM Cc1ccccc1NC1CCC(C(=O)[O-])CC1 ZINC000108247827 179304734 /nfs/dbraw/zinc/30/47/34/179304734.db2.gz SFYZVJIGUVDVID-UHFFFAOYSA-N -1 0 233.311 3.050 20 0 BGADRM CCc1ccc(NC2CCC(C(=O)[O-])CC2)cc1 ZINC000108247831 398327466 /nfs/dbraw/zinc/32/74/66/398327466.db2.gz ALZVXGYCXIREIQ-UHFFFAOYSA-N -1 0 247.338 3.304 20 0 BGADRM Cc1ccc(NC2CCC(C(=O)[O-])CC2)c(C)c1 ZINC000108247833 387531531 /nfs/dbraw/zinc/53/15/31/387531531.db2.gz UGBXNDZBIJSKNA-UHFFFAOYSA-N -1 0 247.338 3.359 20 0 BGADRM Cc1cc(C)cc(NC2CCC(C(=O)[O-])CC2)c1 ZINC000108247840 398327465 /nfs/dbraw/zinc/32/74/65/398327465.db2.gz RKIOBZPCAMPXLL-UHFFFAOYSA-N -1 0 247.338 3.359 20 0 BGADRM Cc1ccc(NC2CCC(C(=O)[O-])CC2)cc1 ZINC000108247854 588452818 /nfs/dbraw/zinc/45/28/18/588452818.db2.gz HXVQOSLJVZRLEE-UHFFFAOYSA-N -1 0 233.311 3.050 20 0 BGADRM CCc1[n-]n(-c2ccccc2Cl)c(=O)c1C ZINC000110454769 411099542 /nfs/dbraw/zinc/09/95/42/411099542.db2.gz DYBMYEMKILGEHF-MRVPVSSYSA-N -1 0 236.702 3.089 20 0 BGADRM CCc1[n-]n(-c2ccccc2Cl)c(=O)c1C ZINC000110454773 411099608 /nfs/dbraw/zinc/09/96/08/411099608.db2.gz DYBMYEMKILGEHF-QMMMGPOBSA-N -1 0 236.702 3.089 20 0 BGADRM CN(Cc1ccsc1C(=O)[O-])c1ccccc1 ZINC000110955049 588713035 /nfs/dbraw/zinc/71/30/35/588713035.db2.gz ZYDILNZDVXEFMH-UHFFFAOYSA-N -1 0 247.319 3.083 20 0 BGADRM Cc1ccc(NC(=O)CCC(C)C)cc1C(=O)[O-] ZINC000110987061 385274703 /nfs/dbraw/zinc/27/47/03/385274703.db2.gz YVICXJHAHIMFBS-UHFFFAOYSA-N -1 0 249.310 3.068 20 0 BGADRM CCCCCC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000110987075 588714805 /nfs/dbraw/zinc/71/48/05/588714805.db2.gz MRCDGPKDUHQQRY-UHFFFAOYSA-N -1 0 249.310 3.212 20 0 BGADRM CCC(C)(C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000110987341 168268744 /nfs/dbraw/zinc/26/87/44/168268744.db2.gz LPMRDWHKQUMUSE-UHFFFAOYSA-N -1 0 249.310 3.068 20 0 BGADRM Cc1ccc(NC(=O)CC(C)(C)C)cc1C(=O)[O-] ZINC000110987478 178722207 /nfs/dbraw/zinc/72/22/07/178722207.db2.gz MNLAGCNKWCDWBF-UHFFFAOYSA-N -1 0 249.310 3.068 20 0 BGADRM C[C@@H](NC(=O)[O-])c1ccccc1C(F)(F)F ZINC000113242558 588828011 /nfs/dbraw/zinc/82/80/11/588828011.db2.gz XYTGPSZJZCMHQA-ZCFIWIBFSA-N -1 0 233.189 3.034 20 0 BGADRM C[C@H](NC(=O)[O-])c1ccccc1C(F)(F)F ZINC000113242560 588828217 /nfs/dbraw/zinc/82/82/17/588828217.db2.gz XYTGPSZJZCMHQA-LURJTMIESA-N -1 0 233.189 3.034 20 0 BGADRM O=C([O-])c1ccnc(/C=C/c2ccc(F)cc2)c1 ZINC000114145097 345675699 /nfs/dbraw/zinc/67/56/99/345675699.db2.gz HGMDSMBDCBSFHD-ZZXKWVIFSA-N -1 0 243.237 3.089 20 0 BGADRM Cc1ccc(COC(=O)c2ccc(O)cc2)cc1 ZINC000114670484 588879409 /nfs/dbraw/zinc/87/94/09/588879409.db2.gz BYFJLAHGKYACPI-UHFFFAOYSA-N -1 0 242.274 3.058 20 0 BGADRM CC(C)c1cccc(N(C)CCCC(=O)[O-])c1 ZINC000116371693 387140839 /nfs/dbraw/zinc/14/08/39/387140839.db2.gz DGGJGMUOJIQGJL-UHFFFAOYSA-N -1 0 235.327 3.111 20 0 BGADRM O=C([O-])NCCc1ccc(-c2ccccc2)cc1 ZINC000116950430 589060003 /nfs/dbraw/zinc/06/00/03/589060003.db2.gz WBJVOFBXUHGUHD-UHFFFAOYSA-N -1 0 241.290 3.164 20 0 BGADRM CN(C(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000116954941 589059821 /nfs/dbraw/zinc/05/98/21/589059821.db2.gz IDJZQXABMUVODM-UHFFFAOYSA-N -1 0 227.263 3.468 20 0 BGADRM O=C([O-])N(Cc1ccccc1)c1ccccc1 ZINC000117550311 589103521 /nfs/dbraw/zinc/10/35/21/589103521.db2.gz WKFZHVFBHYHYAK-UHFFFAOYSA-N -1 0 227.263 3.371 20 0 BGADRM CC(C)(C)CCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000120321659 589404080 /nfs/dbraw/zinc/40/40/80/589404080.db2.gz DPVCNJJJMKBFLO-UHFFFAOYSA-N -1 0 249.310 3.150 20 0 BGADRM Cc1ccccc1N(CCCC(=O)[O-])C(C)C ZINC000120536735 179296580 /nfs/dbraw/zinc/29/65/80/179296580.db2.gz MJYNXYODEVZXAT-UHFFFAOYSA-N -1 0 235.327 3.075 20 0 BGADRM Cc1cc(C[NH2+]Cc2ccc(O)c(F)c2)c(C)o1 ZINC000120855258 589472676 /nfs/dbraw/zinc/47/26/76/589472676.db2.gz MDYUQAXJNABPFU-UHFFFAOYSA-N -1 0 249.285 3.031 20 0 BGADRM CC=C(C)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000121130743 589502713 /nfs/dbraw/zinc/50/27/13/589502713.db2.gz QJESTKZBPSRBKY-CLTKARDFSA-N -1 0 248.307 3.021 20 0 BGADRM CCCCCNc1ccc(C(=O)[O-])c(F)c1 ZINC000122304310 602304052 /nfs/dbraw/zinc/30/40/52/602304052.db2.gz HMYHLYLFGFQEOO-UHFFFAOYSA-N -1 0 225.263 3.126 20 0 BGADRM Cc1ccc(C(=O)[O-])cc1O[C@H]1C=CCCC1 ZINC000123229615 589679133 /nfs/dbraw/zinc/67/91/33/589679133.db2.gz ACKBQMZAUOUKQJ-LBPRGKRZSA-N -1 0 232.279 3.181 20 0 BGADRM Cc1ccc(C(=O)[O-])cc1O[C@@H]1C=CCCC1 ZINC000123229870 589678985 /nfs/dbraw/zinc/67/89/85/589678985.db2.gz ACKBQMZAUOUKQJ-GFCCVEGCSA-N -1 0 232.279 3.181 20 0 BGADRM CC(C)CCN1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000124114952 343167098 /nfs/dbraw/zinc/16/70/98/343167098.db2.gz FKMZUDKZWICJIJ-ZDUSSCGKSA-N -1 0 247.338 3.111 20 0 BGADRM CC(C)CCN1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000124115211 343167027 /nfs/dbraw/zinc/16/70/27/343167027.db2.gz FKMZUDKZWICJIJ-CYBMUJFWSA-N -1 0 247.338 3.111 20 0 BGADRM CCCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000125120236 384699012 /nfs/dbraw/zinc/69/90/12/384699012.db2.gz FKXKTPWTMZTTGV-UHFFFAOYSA-N -1 0 248.109 3.438 20 0 BGADRM Cc1cccc(C)c1CS[C@@H](C)C(=O)[O-] ZINC000126171145 590246057 /nfs/dbraw/zinc/24/60/57/590246057.db2.gz JJAXOFSQMGBZMC-JTQLQIEISA-N -1 0 224.325 3.010 20 0 BGADRM Cc1cccc(C)c1CS[C@H](C)C(=O)[O-] ZINC000126171334 590245894 /nfs/dbraw/zinc/24/58/94/590245894.db2.gz JJAXOFSQMGBZMC-SNVBAGLBSA-N -1 0 224.325 3.010 20 0 BGADRM Cc1cccc(C)c1CSC[C@@H](C)C(=O)[O-] ZINC000126171762 590245870 /nfs/dbraw/zinc/24/58/70/590245870.db2.gz JKKNXAOEVWLCTP-LLVKDONJSA-N -1 0 238.352 3.257 20 0 BGADRM Cc1cccc(C)c1CSC[C@H](C)C(=O)[O-] ZINC000126171995 590246080 /nfs/dbraw/zinc/24/60/80/590246080.db2.gz JKKNXAOEVWLCTP-NSHDSACASA-N -1 0 238.352 3.257 20 0 BGADRM Cc1cccc(C)c1CS[C@@H](C)CC(=O)[O-] ZINC000126172243 590246069 /nfs/dbraw/zinc/24/60/69/590246069.db2.gz UMIQVLZCCXFWEH-NSHDSACASA-N -1 0 238.352 3.400 20 0 BGADRM Cc1cccc(C)c1CS[C@H](C)CC(=O)[O-] ZINC000126172476 590246159 /nfs/dbraw/zinc/24/61/59/590246159.db2.gz UMIQVLZCCXFWEH-LLVKDONJSA-N -1 0 238.352 3.400 20 0 BGADRM CC[C@@H]1CCc2ccccc2N1CCCC(=O)[O-] ZINC000127110879 132231116 /nfs/dbraw/zinc/23/11/16/132231116.db2.gz IGZIFMUITSFJKF-CYBMUJFWSA-N -1 0 247.338 3.083 20 0 BGADRM CC[C@H]1CCc2ccccc2N1CCCC(=O)[O-] ZINC000127111091 132231346 /nfs/dbraw/zinc/23/13/46/132231346.db2.gz IGZIFMUITSFJKF-ZDUSSCGKSA-N -1 0 247.338 3.083 20 0 BGADRM O=c1cc(C2CCCC2)[n-]n1-c1ccccc1F ZINC000127150713 590577218 /nfs/dbraw/zinc/57/72/18/590577218.db2.gz OSDNJZPOWFZOGZ-UHFFFAOYSA-N -1 0 246.285 3.109 20 0 BGADRM C[C@@H](CC(=O)[O-])SCc1ccc(F)c(F)c1 ZINC000127791363 590777873 /nfs/dbraw/zinc/77/78/73/590777873.db2.gz GXCFQTXBJJPABB-ZETCQYMHSA-N -1 0 246.278 3.061 20 0 BGADRM C[C@H](CC(=O)[O-])SCc1ccc(F)c(F)c1 ZINC000127791574 590778133 /nfs/dbraw/zinc/77/81/33/590778133.db2.gz GXCFQTXBJJPABB-SSDOTTSWSA-N -1 0 246.278 3.061 20 0 BGADRM O=C([O-])c1ccc(NCC2CCCC2)cc1F ZINC000128772067 591161794 /nfs/dbraw/zinc/16/17/94/591161794.db2.gz YEXYXKYTDVYVAS-UHFFFAOYSA-N -1 0 237.274 3.126 20 0 BGADRM CCCCCN1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000128802885 343175539 /nfs/dbraw/zinc/17/55/39/343175539.db2.gz OUMGCVAQNRMUFK-ZDUSSCGKSA-N -1 0 247.338 3.255 20 0 BGADRM CCCCCN1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000128803121 343175473 /nfs/dbraw/zinc/17/54/73/343175473.db2.gz OUMGCVAQNRMUFK-CYBMUJFWSA-N -1 0 247.338 3.255 20 0 BGADRM C[C@H]1CC[C@H](CC(=O)Nc2ccccc2O)C1 ZINC000128928106 177201366 /nfs/dbraw/zinc/20/13/66/177201366.db2.gz XJPKCZIVOXLDSW-QWRGUYRKSA-N -1 0 233.311 3.157 20 0 BGADRM Cc1cc(N[C@@H]2CC[C@H](C)C2)ccc1C(=O)[O-] ZINC000129644562 343184232 /nfs/dbraw/zinc/18/42/32/343184232.db2.gz UKCPQNKDTRUXFQ-GXSJLCMTSA-N -1 0 233.311 3.294 20 0 BGADRM Cc1cc(N[C@H]2CC[C@H](C)C2)ccc1C(=O)[O-] ZINC000129644773 343184173 /nfs/dbraw/zinc/18/41/73/343184173.db2.gz UKCPQNKDTRUXFQ-ONGXEEELSA-N -1 0 233.311 3.294 20 0 BGADRM Cc1cc(N[C@@H]2CC[C@@H](C)C2)ccc1C(=O)[O-] ZINC000129644929 343184178 /nfs/dbraw/zinc/18/41/78/343184178.db2.gz UKCPQNKDTRUXFQ-MWLCHTKSSA-N -1 0 233.311 3.294 20 0 BGADRM Cc1cc(N[C@H]2CC[C@@H](C)C2)ccc1C(=O)[O-] ZINC000129645127 343184488 /nfs/dbraw/zinc/18/44/88/343184488.db2.gz UKCPQNKDTRUXFQ-KOLCDFICSA-N -1 0 233.311 3.294 20 0 BGADRM CCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000130112726 358609585 /nfs/dbraw/zinc/60/95/85/358609585.db2.gz OJZYHGOGHPKVTI-UHFFFAOYSA-N -1 0 234.082 3.048 20 0 BGADRM CCCCCCC(=O)Nc1ccc(O)cc1F ZINC000130330262 591459361 /nfs/dbraw/zinc/45/93/61/591459361.db2.gz LLCGFCPPMFDGOP-UHFFFAOYSA-N -1 0 239.290 3.440 20 0 BGADRM CCCSc1nc2ccc(C(=O)[O-])cc2o1 ZINC000130762849 591518136 /nfs/dbraw/zinc/51/81/36/591518136.db2.gz BVMDQWDFQUOOBU-UHFFFAOYSA-N -1 0 237.280 3.028 20 0 BGADRM CC(C)Sc1nc2ccc(C(=O)[O-])cc2o1 ZINC000130763292 591517758 /nfs/dbraw/zinc/51/77/58/591517758.db2.gz FFKWZVVJSCOXHQ-UHFFFAOYSA-N -1 0 237.280 3.027 20 0 BGADRM CCC[C@@H](C)C[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000131293301 632455909 /nfs/dbraw/zinc/45/59/09/632455909.db2.gz PUKVOLKKYPRWSL-LLVKDONJSA-N -1 0 247.338 3.137 20 0 BGADRM CCc1ccc(O)c(C(=O)N(C)CCC(C)C)c1 ZINC000132525966 371852758 /nfs/dbraw/zinc/85/27/58/371852758.db2.gz DAKJKKYAJHHECW-UHFFFAOYSA-N -1 0 249.354 3.073 20 0 BGADRM O=c1cc(C2CCCC2)[n-]n1-c1ccc(F)cc1 ZINC000132844202 591742904 /nfs/dbraw/zinc/74/29/04/591742904.db2.gz LKOAVLFRIANPKV-UHFFFAOYSA-N -1 0 246.285 3.109 20 0 BGADRM Cc1ccccc1-n1[n-]c(C2CCCC2)cc1=O ZINC000132844869 591743390 /nfs/dbraw/zinc/74/33/90/591743390.db2.gz FDOXTGAHTFAXLL-UHFFFAOYSA-N -1 0 242.322 3.278 20 0 BGADRM Cc1cccc(-n2[n-]c(C3CCCC3)cc2=O)c1 ZINC000132845557 591743385 /nfs/dbraw/zinc/74/33/85/591743385.db2.gz YHVMSWZMTHVKCE-UHFFFAOYSA-N -1 0 242.322 3.278 20 0 BGADRM Cc1ccc(-n2[n-]c(C3CCCC3)cc2=O)cc1 ZINC000132846834 591743085 /nfs/dbraw/zinc/74/30/85/591743085.db2.gz BKHSEALNJNVKHD-UHFFFAOYSA-N -1 0 242.322 3.278 20 0 BGADRM O=c1cc(C2CCCC2)[n-]n1C1CCCCC1 ZINC000132859145 591742938 /nfs/dbraw/zinc/74/29/38/591742938.db2.gz IRGQDJQSILQTIC-UHFFFAOYSA-N -1 0 234.343 3.098 20 0 BGADRM O=c1cc(C2CCCC2)[n-]n1C1CCCCCC1 ZINC000132859786 591743285 /nfs/dbraw/zinc/74/32/85/591743285.db2.gz HHKWUUDBIVYEDK-UHFFFAOYSA-N -1 0 248.370 3.488 20 0 BGADRM O=c1cc(C2CCCC2)[n-]n1-c1cccc(F)c1 ZINC000132864985 591742863 /nfs/dbraw/zinc/74/28/63/591742863.db2.gz ITFFLEOQNHCVAP-UHFFFAOYSA-N -1 0 246.285 3.109 20 0 BGADRM CCC(CC)Nc1cccc(CCC(=O)[O-])c1 ZINC000134690420 168393681 /nfs/dbraw/zinc/39/36/81/168393681.db2.gz SNABJRXCDNYHOR-UHFFFAOYSA-N -1 0 235.327 3.304 20 0 BGADRM CCC(CC)Nc1ccc(CCC(=O)[O-])cc1 ZINC000134690864 711643921 /nfs/dbraw/zinc/64/39/21/711643921.db2.gz VJGSFIOJVAUYAB-UHFFFAOYSA-N -1 0 235.327 3.304 20 0 BGADRM Cc1cc(NCCC(F)(F)F)ccc1C(=O)[O-] ZINC000135080769 591982301 /nfs/dbraw/zinc/98/23/01/591982301.db2.gz NTLVDBBBSBGCPY-UHFFFAOYSA-N -1 0 247.216 3.058 20 0 BGADRM Cc1cc(N[C@@H]2CCC[C@@H]2C)ccc1C(=O)[O-] ZINC000135080933 343192308 /nfs/dbraw/zinc/19/23/08/343192308.db2.gz JVDOLFJVBASYAA-TVQRCGJNSA-N -1 0 233.311 3.294 20 0 BGADRM Cc1cc(N[C@H]2CCC[C@@H]2C)ccc1C(=O)[O-] ZINC000135080952 343192436 /nfs/dbraw/zinc/19/24/36/343192436.db2.gz JVDOLFJVBASYAA-ZANVPECISA-N -1 0 233.311 3.294 20 0 BGADRM Cc1cc(N[C@@H]2CCC[C@H]2C)ccc1C(=O)[O-] ZINC000135080970 343192546 /nfs/dbraw/zinc/19/25/46/343192546.db2.gz JVDOLFJVBASYAA-NOZJJQNGSA-N -1 0 233.311 3.294 20 0 BGADRM Cc1cc(N[C@H]2CCC[C@H]2C)ccc1C(=O)[O-] ZINC000135080982 343192496 /nfs/dbraw/zinc/19/24/96/343192496.db2.gz JVDOLFJVBASYAA-RNCFNFMXSA-N -1 0 233.311 3.294 20 0 BGADRM Cc1cc(N[C@@H](C)CC2CC2)ccc1C(=O)[O-] ZINC000135081807 343192379 /nfs/dbraw/zinc/19/23/79/343192379.db2.gz UVKILHLSDXBBAZ-JTQLQIEISA-N -1 0 233.311 3.294 20 0 BGADRM Cc1cc(N[C@H](C)CC2CC2)ccc1C(=O)[O-] ZINC000135081823 343192300 /nfs/dbraw/zinc/19/23/00/343192300.db2.gz UVKILHLSDXBBAZ-SNVBAGLBSA-N -1 0 233.311 3.294 20 0 BGADRM CC[C@H](C(=O)[N-]OC1CCCC1)c1ccccc1 ZINC000135354267 171230404 /nfs/dbraw/zinc/23/04/04/171230404.db2.gz GZMWWDHZAUONID-AWEZNQCLSA-N -1 0 247.338 3.171 20 0 BGADRM CC[C@@H](C(=O)[N-]OC1CCCC1)c1ccccc1 ZINC000135354288 384438103 /nfs/dbraw/zinc/43/81/03/384438103.db2.gz GZMWWDHZAUONID-CQSZACIVSA-N -1 0 247.338 3.171 20 0 BGADRM Cc1cc(N[C@@H](C)C2CCC2)ccc1C(=O)[O-] ZINC000137832188 345698656 /nfs/dbraw/zinc/69/86/56/345698656.db2.gz ZEXJMCKWDGHYKC-JTQLQIEISA-N -1 0 233.311 3.294 20 0 BGADRM Cc1cc(N[C@H](C)C2CCC2)ccc1C(=O)[O-] ZINC000137832284 345698218 /nfs/dbraw/zinc/69/82/18/345698218.db2.gz ZEXJMCKWDGHYKC-SNVBAGLBSA-N -1 0 233.311 3.294 20 0 BGADRM CC(C)(C)C[C@H](SCc1ccco1)C(=O)[O-] ZINC000138223547 592245974 /nfs/dbraw/zinc/24/59/74/592245974.db2.gz HFMPTZCWKNPXHM-JTQLQIEISA-N -1 0 242.340 3.402 20 0 BGADRM CC(C)(C)C[C@@H](SCc1ccco1)C(=O)[O-] ZINC000138223646 592245515 /nfs/dbraw/zinc/24/55/15/592245515.db2.gz HFMPTZCWKNPXHM-SNVBAGLBSA-N -1 0 242.340 3.402 20 0 BGADRM O=C([O-])N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000140018217 582543264 /nfs/dbraw/zinc/54/32/64/582543264.db2.gz RNEMDVKOHGNIEK-UHFFFAOYSA-N -1 0 244.294 3.025 20 0 BGADRM O=C([O-])Cc1ccc(NCC2CCCCC2)cc1 ZINC000140296191 345700494 /nfs/dbraw/zinc/70/04/94/345700494.db2.gz PUSAWLXEKJTAMR-UHFFFAOYSA-N -1 0 247.338 3.306 20 0 BGADRM C[C@@H](NC(=O)[O-])c1cccc2ccccc21 ZINC000140359323 592466076 /nfs/dbraw/zinc/46/60/76/592466076.db2.gz MXLFHLCNUGHPNQ-SECBINFHSA-N -1 0 215.252 3.168 20 0 BGADRM C[C@H](NC(=O)[O-])c1cccc2ccccc21 ZINC000140359481 592466066 /nfs/dbraw/zinc/46/60/66/592466066.db2.gz MXLFHLCNUGHPNQ-VIFPVBQESA-N -1 0 215.252 3.168 20 0 BGADRM O=C([O-])N(Cc1ccccc1)C1CCCCC1 ZINC000141250978 583551787 /nfs/dbraw/zinc/55/17/87/583551787.db2.gz SZEKWAUBIQMMDU-UHFFFAOYSA-N -1 0 233.311 3.499 20 0 BGADRM O=C([O-])N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000141842500 583606491 /nfs/dbraw/zinc/60/64/91/583606491.db2.gz OYTZLDDBAITPJB-UHFFFAOYSA-N -1 0 237.686 3.107 20 0 BGADRM Cc1cc(-c2cccc(C=O)c2)ccc1C(=O)[O-] ZINC000142109955 643365928 /nfs/dbraw/zinc/36/59/28/643365928.db2.gz AFGZUKJHVNNVQA-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM CCC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000143256635 384565934 /nfs/dbraw/zinc/56/59/34/384565934.db2.gz XNWBWWWPEDDHEM-UHFFFAOYSA-N -1 0 234.082 3.048 20 0 BGADRM CC[C@@H](C)COC(=O)c1ccc([O-])c(Cl)c1 ZINC000144081672 583925522 /nfs/dbraw/zinc/92/55/22/583925522.db2.gz CLLGWDLMFOOTCH-MRVPVSSYSA-N -1 0 242.702 3.249 20 0 BGADRM CC[C@H](C)COC(=O)c1ccc([O-])c(Cl)c1 ZINC000144081878 583925562 /nfs/dbraw/zinc/92/55/62/583925562.db2.gz CLLGWDLMFOOTCH-QMMMGPOBSA-N -1 0 242.702 3.249 20 0 BGADRM O=C([O-])Nc1ccccc1OCc1ccccc1 ZINC000145183488 583931178 /nfs/dbraw/zinc/93/11/78/583931178.db2.gz LMCAKIYNSMVJDX-UHFFFAOYSA-N -1 0 243.262 3.356 20 0 BGADRM O=C([O-])NCC(c1ccccc1)c1ccccc1 ZINC000145239880 583931685 /nfs/dbraw/zinc/93/16/85/583931685.db2.gz DCEDMNAWOWKJSP-UHFFFAOYSA-N -1 0 241.290 3.086 20 0 BGADRM Cc1sccc1-c1cccc(C(=O)[O-])c1 ZINC000146822277 323030423 /nfs/dbraw/zinc/03/04/23/323030423.db2.gz OVFGCBNXPBPPIG-UHFFFAOYSA-N -1 0 218.277 3.422 20 0 BGADRM O=C([O-])NC(c1cccs1)c1cccs1 ZINC000146944417 583061930 /nfs/dbraw/zinc/06/19/30/583061930.db2.gz FSJKIIMLAVJPAE-UHFFFAOYSA-N -1 0 239.321 3.167 20 0 BGADRM CC(C)(NC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000147646494 602670920 /nfs/dbraw/zinc/67/09/20/602670920.db2.gz FEVLXSKKNYTWGL-UHFFFAOYSA-N -1 0 247.216 3.208 20 0 BGADRM CN(Cc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000147790000 583751357 /nfs/dbraw/zinc/75/13/57/583751357.db2.gz JSKQIIAFFCLHAD-UHFFFAOYSA-N -1 0 241.290 3.463 20 0 BGADRM CC(C)CCN1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000148046310 583834081 /nfs/dbraw/zinc/83/40/81/583834081.db2.gz MKARLRDVAAKLDC-LBPRGKRZSA-N -1 0 247.338 3.111 20 0 BGADRM CC(C)CCN1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000148046485 583834120 /nfs/dbraw/zinc/83/41/20/583834120.db2.gz MKARLRDVAAKLDC-GFCCVEGCSA-N -1 0 247.338 3.111 20 0 BGADRM CCCCCN1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000148046750 583834135 /nfs/dbraw/zinc/83/41/35/583834135.db2.gz BDBZECOTTRVQFI-LBPRGKRZSA-N -1 0 247.338 3.255 20 0 BGADRM CCCCCN1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000148046981 583834613 /nfs/dbraw/zinc/83/46/13/583834613.db2.gz BDBZECOTTRVQFI-GFCCVEGCSA-N -1 0 247.338 3.255 20 0 BGADRM CC[C@@H](C)CN1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000148055745 601832159 /nfs/dbraw/zinc/83/21/59/601832159.db2.gz IZZASZFNHWCKBO-NEPJUHHUSA-N -1 0 247.338 3.111 20 0 BGADRM CC[C@H](C)CN1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000148055941 601831973 /nfs/dbraw/zinc/83/19/73/601831973.db2.gz IZZASZFNHWCKBO-RYUDHWBXSA-N -1 0 247.338 3.111 20 0 BGADRM CC(C)=CCN1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000148070141 583840910 /nfs/dbraw/zinc/84/09/10/583840910.db2.gz HGKOENLRMRCBRR-LBPRGKRZSA-N -1 0 245.322 3.031 20 0 BGADRM CC(C)=CCN1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000148070351 583840998 /nfs/dbraw/zinc/84/09/98/583840998.db2.gz HGKOENLRMRCBRR-GFCCVEGCSA-N -1 0 245.322 3.031 20 0 BGADRM CC1(C)C[C@@H]1C(=O)Nc1ccc(O)c(Cl)c1 ZINC000151751907 346240038 /nfs/dbraw/zinc/24/00/38/346240038.db2.gz MLHOQGTXXAAXRY-MRVPVSSYSA-N -1 0 239.702 3.030 20 0 BGADRM Cc1cc(F)ccc1C(=O)Nc1ccccc1O ZINC000153531340 344898174 /nfs/dbraw/zinc/89/81/74/344898174.db2.gz IBONYDFUTLCSTP-UHFFFAOYSA-N -1 0 245.253 3.092 20 0 BGADRM CC[C@@H](C)CO[N-]C(=O)C(C)(C)c1ccccc1 ZINC000153542167 641815823 /nfs/dbraw/zinc/81/58/23/641815823.db2.gz FFBQULNIMLNROL-GFCCVEGCSA-N -1 0 249.354 3.058 20 0 BGADRM CC[C@H](C)CO[N-]C(=O)C(C)(C)c1ccccc1 ZINC000153542264 641815833 /nfs/dbraw/zinc/81/58/33/641815833.db2.gz FFBQULNIMLNROL-LBPRGKRZSA-N -1 0 249.354 3.058 20 0 BGADRM [O-]c1c(F)cc(-c2nc3ccccc3[nH]2)cc1F ZINC000154252580 326137101 /nfs/dbraw/zinc/13/71/01/326137101.db2.gz FFLNFUGRRNCZLX-UHFFFAOYSA-N -1 0 246.216 3.214 20 0 BGADRM CN(CCCC(=O)[O-])c1ccc2ccccc2c1 ZINC000154826718 600317052 /nfs/dbraw/zinc/31/70/52/600317052.db2.gz WGLCZBHAZRZLIS-UHFFFAOYSA-N -1 0 243.306 3.141 20 0 BGADRM Cc1ccc(N(CCCC(=O)[O-])C(C)C)cc1 ZINC000155727117 600317695 /nfs/dbraw/zinc/31/76/95/600317695.db2.gz NWOVZVBBSCHBFN-UHFFFAOYSA-N -1 0 235.327 3.075 20 0 BGADRM Cc1sc(C(=O)[O-])cc1COc1ccccc1 ZINC000155898544 601627377 /nfs/dbraw/zinc/62/73/77/601627377.db2.gz LRFIXWOCWCWDIN-UHFFFAOYSA-N -1 0 248.303 3.334 20 0 BGADRM CC(C)CO[N-]C(=O)[C@@H](c1ccccc1)C(C)C ZINC000156460769 641607565 /nfs/dbraw/zinc/60/75/65/641607565.db2.gz ZGKGBIKMBQTROJ-CQSZACIVSA-N -1 0 249.354 3.130 20 0 BGADRM CC(C)CO[N-]C(=O)[C@H](c1ccccc1)C(C)C ZINC000156460887 641606992 /nfs/dbraw/zinc/60/69/92/641606992.db2.gz ZGKGBIKMBQTROJ-AWEZNQCLSA-N -1 0 249.354 3.130 20 0 BGADRM CCCCCO[N-]C(=O)C(C)(C)c1ccccc1 ZINC000159659479 641691757 /nfs/dbraw/zinc/69/17/57/641691757.db2.gz CQQZZXGMVQMNJL-UHFFFAOYSA-N -1 0 249.354 3.202 20 0 BGADRM CC[C@@H](C)CNc1ccc(C(=O)[O-])c(C)c1 ZINC000159870877 323051109 /nfs/dbraw/zinc/05/11/09/323051109.db2.gz CSLDSZBHNOUDOC-SECBINFHSA-N -1 0 221.300 3.151 20 0 BGADRM CC[C@H](C)CNc1ccc(C(=O)[O-])c(C)c1 ZINC000159871004 323051092 /nfs/dbraw/zinc/05/10/92/323051092.db2.gz CSLDSZBHNOUDOC-VIFPVBQESA-N -1 0 221.300 3.151 20 0 BGADRM CC(C)=CC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000160758851 636693442 /nfs/dbraw/zinc/69/34/42/636693442.db2.gz WCPLXMVPKSAXFG-UHFFFAOYSA-N -1 0 248.307 3.021 20 0 BGADRM CCCC[C@H](Sc1nc(C)cs1)C(=O)[O-] ZINC000161996388 599710391 /nfs/dbraw/zinc/71/03/91/599710391.db2.gz ZLZIDQSJYSLPCS-QMMMGPOBSA-N -1 0 245.369 3.187 20 0 BGADRM CCCC[C@@H](Sc1nc(C)cs1)C(=O)[O-] ZINC000161996502 599710346 /nfs/dbraw/zinc/71/03/46/599710346.db2.gz ZLZIDQSJYSLPCS-MRVPVSSYSA-N -1 0 245.369 3.187 20 0 BGADRM CCCC[C@H](Sc1cccs1)C(=O)[O-] ZINC000161998760 600837034 /nfs/dbraw/zinc/83/70/34/600837034.db2.gz IVNJUPMLIPHCCH-QMMMGPOBSA-N -1 0 230.354 3.484 20 0 BGADRM CCCC[C@@H](Sc1cccs1)C(=O)[O-] ZINC000161998878 600837081 /nfs/dbraw/zinc/83/70/81/600837081.db2.gz IVNJUPMLIPHCCH-MRVPVSSYSA-N -1 0 230.354 3.484 20 0 BGADRM CCCC[C@H](SCc1ccco1)C(=O)[O-] ZINC000161999013 600935981 /nfs/dbraw/zinc/93/59/81/600935981.db2.gz UKQDFBSSWYPVKF-JTQLQIEISA-N -1 0 228.313 3.156 20 0 BGADRM CCCC[C@@H](SCc1ccco1)C(=O)[O-] ZINC000161999145 600936178 /nfs/dbraw/zinc/93/61/78/600936178.db2.gz UKQDFBSSWYPVKF-SNVBAGLBSA-N -1 0 228.313 3.156 20 0 BGADRM CCCC[C@H](SCC(C)C)C(=O)[O-] ZINC000161999571 600831586 /nfs/dbraw/zinc/83/15/86/600831586.db2.gz ILXBPWUHUAFYSH-VIFPVBQESA-N -1 0 204.335 3.019 20 0 BGADRM CCCC[C@@H](SCC(C)C)C(=O)[O-] ZINC000161999692 600831880 /nfs/dbraw/zinc/83/18/80/600831880.db2.gz ILXBPWUHUAFYSH-SECBINFHSA-N -1 0 204.335 3.019 20 0 BGADRM CCCC[C@H](Sc1ccc(O)cc1)C(=O)[O-] ZINC000162003919 600937067 /nfs/dbraw/zinc/93/70/67/600937067.db2.gz QJRIKBBASKDAPC-NSHDSACASA-N -1 0 240.324 3.128 20 0 BGADRM CCCC[C@@H](Sc1ccc(O)cc1)C(=O)[O-] ZINC000162004041 600936840 /nfs/dbraw/zinc/93/68/40/600936840.db2.gz QJRIKBBASKDAPC-LLVKDONJSA-N -1 0 240.324 3.128 20 0 BGADRM CCCC[C@H](Sc1ccccc1O)C(=O)[O-] ZINC000162008908 601346275 /nfs/dbraw/zinc/34/62/75/601346275.db2.gz QFQLYBCYICZXAA-NSHDSACASA-N -1 0 240.324 3.128 20 0 BGADRM CCCC[C@@H](Sc1ccccc1O)C(=O)[O-] ZINC000162009022 601346192 /nfs/dbraw/zinc/34/61/92/601346192.db2.gz QFQLYBCYICZXAA-LLVKDONJSA-N -1 0 240.324 3.128 20 0 BGADRM CCCC[C@H](SC1CCCC1)C(=O)[O-] ZINC000162011546 600831802 /nfs/dbraw/zinc/83/18/02/600831802.db2.gz HMIJQCGRIMHTTE-JTQLQIEISA-N -1 0 216.346 3.306 20 0 BGADRM CCCC[C@@H](SC1CCCC1)C(=O)[O-] ZINC000162011678 600831854 /nfs/dbraw/zinc/83/18/54/600831854.db2.gz HMIJQCGRIMHTTE-SNVBAGLBSA-N -1 0 216.346 3.306 20 0 BGADRM CC[C@H](SCc1cc(C)ccc1C)C(=O)[O-] ZINC000162299079 600032702 /nfs/dbraw/zinc/03/27/02/600032702.db2.gz NJZPZCLQBPAXNQ-LBPRGKRZSA-N -1 0 238.352 3.400 20 0 BGADRM CC[C@@H](SCc1cc(C)ccc1C)C(=O)[O-] ZINC000162299183 600032795 /nfs/dbraw/zinc/03/27/95/600032795.db2.gz NJZPZCLQBPAXNQ-GFCCVEGCSA-N -1 0 238.352 3.400 20 0 BGADRM CC[C@H](SCc1ccc(C)c(C)c1)C(=O)[O-] ZINC000162363298 602289396 /nfs/dbraw/zinc/28/93/96/602289396.db2.gz MPWUNHYGVQSEGS-LBPRGKRZSA-N -1 0 238.352 3.400 20 0 BGADRM CC[C@@H](SCc1ccc(C)c(C)c1)C(=O)[O-] ZINC000162363440 602289238 /nfs/dbraw/zinc/28/92/38/602289238.db2.gz MPWUNHYGVQSEGS-GFCCVEGCSA-N -1 0 238.352 3.400 20 0 BGADRM Cc1cccc(NC(=O)c2c([O-])cccc2F)c1 ZINC000163546928 387745856 /nfs/dbraw/zinc/74/58/56/387745856.db2.gz ZRFATVUJVBKNJQ-UHFFFAOYSA-N -1 0 245.253 3.092 20 0 BGADRM Cc1ccccc1NC(=O)c1c([O-])cccc1F ZINC000163549419 387745636 /nfs/dbraw/zinc/74/56/36/387745636.db2.gz GFYPAOXNRSOKBW-UHFFFAOYSA-N -1 0 245.253 3.092 20 0 BGADRM CC(C)[C@H](NC(=O)[O-])c1ccccc1Cl ZINC000164021094 602785424 /nfs/dbraw/zinc/78/54/24/602785424.db2.gz YZLUPRSILYSSSN-JTQLQIEISA-N -1 0 227.691 3.305 20 0 BGADRM CC(C)[C@@H](NC(=O)[O-])c1ccccc1Cl ZINC000164021180 602785468 /nfs/dbraw/zinc/78/54/68/602785468.db2.gz YZLUPRSILYSSSN-SNVBAGLBSA-N -1 0 227.691 3.305 20 0 BGADRM O=C([O-])N(Cc1ccco1)Cc1cccs1 ZINC000165309033 602663197 /nfs/dbraw/zinc/66/31/97/602663197.db2.gz PVWGTNLPQYQHOJ-UHFFFAOYSA-N -1 0 237.280 3.021 20 0 BGADRM CC(C)(C)CN(CC(C)(C)C)C(=O)[O-] ZINC000165628593 605201394 /nfs/dbraw/zinc/20/13/94/605201394.db2.gz LWYJOFBZLOGRBL-UHFFFAOYSA-N -1 0 201.310 3.059 20 0 BGADRM C=Cc1ccc(C(=O)Nc2ccccc2O)cc1 ZINC000165763147 388411062 /nfs/dbraw/zinc/41/10/62/388411062.db2.gz GULUNDLVGLVJLN-UHFFFAOYSA-N -1 0 239.274 3.288 20 0 BGADRM CC[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000167082219 385298298 /nfs/dbraw/zinc/29/82/98/385298298.db2.gz HSVFDVDHCHHXIY-SECBINFHSA-N -1 0 249.310 3.068 20 0 BGADRM CC[C@H](C)CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000167082345 171262543 /nfs/dbraw/zinc/26/25/43/171262543.db2.gz HSVFDVDHCHHXIY-VIFPVBQESA-N -1 0 249.310 3.068 20 0 BGADRM C[C@H](SCc1cccc(F)c1Cl)C(=O)[O-] ZINC000167082707 604858708 /nfs/dbraw/zinc/85/87/08/604858708.db2.gz LAGSLDZMFYRHMS-LURJTMIESA-N -1 0 248.706 3.185 20 0 BGADRM C[C@@H](SCc1cccc(F)c1Cl)C(=O)[O-] ZINC000167082812 604858620 /nfs/dbraw/zinc/85/86/20/604858620.db2.gz LAGSLDZMFYRHMS-ZCFIWIBFSA-N -1 0 248.706 3.185 20 0 BGADRM CC[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000167107014 170688462 /nfs/dbraw/zinc/68/84/62/170688462.db2.gz WJMQNXZGKOQXDX-SECBINFHSA-N -1 0 249.310 3.068 20 0 BGADRM CC[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000167107085 171262937 /nfs/dbraw/zinc/26/29/37/171262937.db2.gz WJMQNXZGKOQXDX-VIFPVBQESA-N -1 0 249.310 3.068 20 0 BGADRM CC[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000167110710 488138115 /nfs/dbraw/zinc/13/81/15/488138115.db2.gz GUEQLUIJEVHKGI-SECBINFHSA-N -1 0 249.310 3.068 20 0 BGADRM CC[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000167110817 488138086 /nfs/dbraw/zinc/13/80/86/488138086.db2.gz GUEQLUIJEVHKGI-VIFPVBQESA-N -1 0 249.310 3.068 20 0 BGADRM CC[C@@H](C)CC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000167117476 355959058 /nfs/dbraw/zinc/95/90/58/355959058.db2.gz WQLIUIRNGOPILI-SECBINFHSA-N -1 0 249.310 3.068 20 0 BGADRM CC[C@H](C)CC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000167117582 355959276 /nfs/dbraw/zinc/95/92/76/355959276.db2.gz WQLIUIRNGOPILI-VIFPVBQESA-N -1 0 249.310 3.068 20 0 BGADRM CC[C@@H](C)CN1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000167256450 326439983 /nfs/dbraw/zinc/43/99/83/326439983.db2.gz NRRNZHGFWKOTQF-YPMHNXCESA-N -1 0 247.338 3.111 20 0 BGADRM CC[C@H](C)CN1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000167256558 388439399 /nfs/dbraw/zinc/43/93/99/388439399.db2.gz NRRNZHGFWKOTQF-AAEUAGOBSA-N -1 0 247.338 3.111 20 0 BGADRM CC(C)=CCN1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000167266033 343208917 /nfs/dbraw/zinc/20/89/17/343208917.db2.gz VPZNWYALULFDDY-ZDUSSCGKSA-N -1 0 245.322 3.031 20 0 BGADRM CC(C)=CCN1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000167266151 343209121 /nfs/dbraw/zinc/20/91/21/343209121.db2.gz VPZNWYALULFDDY-CYBMUJFWSA-N -1 0 245.322 3.031 20 0 BGADRM CC[C@@H](C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000167440914 385317149 /nfs/dbraw/zinc/31/71/49/385317149.db2.gz GDLSKAQLGMCJBE-SSDOTTSWSA-N -1 0 227.691 3.030 20 0 BGADRM CC[C@H](C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000167441015 171255810 /nfs/dbraw/zinc/25/58/10/171255810.db2.gz GDLSKAQLGMCJBE-ZETCQYMHSA-N -1 0 227.691 3.030 20 0 BGADRM O=C([O-])Cc1cccc(NC2CCCCC2)c1 ZINC000167970812 343210121 /nfs/dbraw/zinc/21/01/21/343210121.db2.gz XHSFOPOMGBADRR-UHFFFAOYSA-N -1 0 233.311 3.058 20 0 BGADRM O=C([O-])Cc1cccc(NC2CCCCCC2)c1 ZINC000167970939 343210042 /nfs/dbraw/zinc/21/00/42/343210042.db2.gz FTKMAOPCAGWOSM-UHFFFAOYSA-N -1 0 247.338 3.448 20 0 BGADRM CC(C)(C(=O)[O-])c1ccc(NC2CCCC2)cc1 ZINC000167983439 633135997 /nfs/dbraw/zinc/13/59/97/633135997.db2.gz VRRQEDIPPDDPTA-UHFFFAOYSA-N -1 0 247.338 3.403 20 0 BGADRM O=C([O-])CCc1cccc(NC2CCCCC2)c1 ZINC000167992611 134155530 /nfs/dbraw/zinc/15/55/30/134155530.db2.gz UMHGSDJPZHVACI-UHFFFAOYSA-N -1 0 247.338 3.448 20 0 BGADRM O=C([O-])CCc1cccc(NC2CCCC2)c1 ZINC000167993052 134155444 /nfs/dbraw/zinc/15/54/44/134155444.db2.gz RXTJFPGYLYZYEN-UHFFFAOYSA-N -1 0 233.311 3.058 20 0 BGADRM O=C([O-])CCc1ccc(NC2CCCCC2)cc1 ZINC000167993619 633136475 /nfs/dbraw/zinc/13/64/75/633136475.db2.gz VFHWCOZUZNACAW-UHFFFAOYSA-N -1 0 247.338 3.448 20 0 BGADRM O=C([O-])CCc1ccc(NC2CCCC2)cc1 ZINC000167994059 633136514 /nfs/dbraw/zinc/13/65/14/633136514.db2.gz PEDFGXSUIINUQU-UHFFFAOYSA-N -1 0 233.311 3.058 20 0 BGADRM O=C([O-])N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000168379267 602666863 /nfs/dbraw/zinc/66/68/63/602666863.db2.gz SPRSTCCJIVNCPW-NSHDSACASA-N -1 0 244.294 3.025 20 0 BGADRM O=C([O-])N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000168379368 602667130 /nfs/dbraw/zinc/66/71/30/602667130.db2.gz SPRSTCCJIVNCPW-LLVKDONJSA-N -1 0 244.294 3.025 20 0 BGADRM CC(C)CSCc1ccccc1CC(=O)[O-] ZINC000169093835 605055879 /nfs/dbraw/zinc/05/58/79/605055879.db2.gz ONJKLMKRTYIFLS-UHFFFAOYSA-N -1 0 238.352 3.203 20 0 BGADRM CC(C)CC(=O)Nc1cc(Cl)c([O-])cc1F ZINC000170185291 636640240 /nfs/dbraw/zinc/64/02/40/636640240.db2.gz VCTPMNNHVPMQJK-UHFFFAOYSA-N -1 0 245.681 3.169 20 0 BGADRM CCCCC(=O)Nc1cc(Cl)c([O-])cc1F ZINC000170208028 168625812 /nfs/dbraw/zinc/62/58/12/168625812.db2.gz CWVRIQMYTFVKJD-UHFFFAOYSA-N -1 0 245.681 3.313 20 0 BGADRM CC(C)(C)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000170216467 398034135 /nfs/dbraw/zinc/03/41/35/398034135.db2.gz XJVCTYNQJWSAED-UHFFFAOYSA-N -1 0 245.681 3.169 20 0 BGADRM CC(C)CCC(=O)Nc1cccc(Cl)c1[O-] ZINC000172109418 385550187 /nfs/dbraw/zinc/55/01/87/385550187.db2.gz QKLSGMYHGDGRIV-UHFFFAOYSA-N -1 0 241.718 3.420 20 0 BGADRM CC(C)(C)CC(=O)Nc1cccc(Cl)c1[O-] ZINC000172112238 385550963 /nfs/dbraw/zinc/55/09/63/385550963.db2.gz GANDMJGIRZOAIZ-UHFFFAOYSA-N -1 0 241.718 3.420 20 0 BGADRM CCCCC(=O)Nc1cccc(Cl)c1[O-] ZINC000172112430 168628457 /nfs/dbraw/zinc/62/84/57/168628457.db2.gz YBKMRXOAEIESMA-UHFFFAOYSA-N -1 0 227.691 3.174 20 0 BGADRM O=C(CC1CCC1)Nc1cccc(Cl)c1[O-] ZINC000173477283 384685861 /nfs/dbraw/zinc/68/58/61/384685861.db2.gz ZYQVVPBDQHUTRA-UHFFFAOYSA-N -1 0 239.702 3.174 20 0 BGADRM Cc1ccc(NC(=O)[C@@H]2CCC[C@H](C)C2)c(O)c1 ZINC000175060159 346442800 /nfs/dbraw/zinc/44/28/00/346442800.db2.gz TZRMKDVDXLYWIF-CMPLNLGQSA-N -1 0 247.338 3.465 20 0 BGADRM Cc1ccc(NC(=O)[C@@H]2CCC[C@@H](C)C2)c(O)c1 ZINC000175060189 346442581 /nfs/dbraw/zinc/44/25/81/346442581.db2.gz TZRMKDVDXLYWIF-ZYHUDNBSSA-N -1 0 247.338 3.465 20 0 BGADRM Cc1ccc(NC(=O)[C@H]2CCC[C@@H](C)C2)c(O)c1 ZINC000175060210 346442758 /nfs/dbraw/zinc/44/27/58/346442758.db2.gz TZRMKDVDXLYWIF-PWSUYJOCSA-N -1 0 247.338 3.465 20 0 BGADRM C[C@H](C(=O)Nc1cccc(Cl)c1[O-])C1CC1 ZINC000175834022 384966440 /nfs/dbraw/zinc/96/64/40/384966440.db2.gz OYTYBHYPVWADAQ-ZETCQYMHSA-N -1 0 239.702 3.030 20 0 BGADRM C[C@@H](C(=O)Nc1cccc(Cl)c1[O-])C1CC1 ZINC000175834040 175620837 /nfs/dbraw/zinc/62/08/37/175620837.db2.gz OYTYBHYPVWADAQ-SSDOTTSWSA-N -1 0 239.702 3.030 20 0 BGADRM CC=C(C)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000178723320 635672562 /nfs/dbraw/zinc/67/25/62/635672562.db2.gz QJESTKZBPSRBKY-XVNBXDOJSA-N -1 0 248.307 3.021 20 0 BGADRM CC1(C)C[C@@H]1C(=O)Nc1cccc(Cl)c1[O-] ZINC000178960740 346969912 /nfs/dbraw/zinc/96/99/12/346969912.db2.gz IUYGYXUVLBWNHW-SSDOTTSWSA-N -1 0 239.702 3.030 20 0 BGADRM Cc1cc(C(=O)Nc2c(C)cccc2O)c(C)o1 ZINC000179543578 345922242 /nfs/dbraw/zinc/92/22/42/345922242.db2.gz VVGNDGKMBIFELF-UHFFFAOYSA-N -1 0 245.278 3.163 20 0 BGADRM CC/C=C(\C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000179724063 385487745 /nfs/dbraw/zinc/48/77/45/385487745.db2.gz BXGWXXJJUMSMPU-VMPITWQZSA-N -1 0 239.702 3.340 20 0 BGADRM O=C(C=C1CCC1)Nc1cccc(Cl)c1[O-] ZINC000179726461 642742431 /nfs/dbraw/zinc/74/24/31/642742431.db2.gz SWVKXUVJYQVTII-UHFFFAOYSA-N -1 0 237.686 3.094 20 0 BGADRM C/C=C/C=C/C(=O)Nc1cccc(Cl)c1[O-] ZINC000179726558 384335162 /nfs/dbraw/zinc/33/51/62/384335162.db2.gz IAMSDHHZNPXASU-CRBCFSCISA-N -1 0 237.686 3.116 20 0 BGADRM C[C@@H]1CCN(CCCCC(=O)[O-])c2ccccc21 ZINC000181547117 132238713 /nfs/dbraw/zinc/23/87/13/132238713.db2.gz XJUAIQHYCZVYMD-GFCCVEGCSA-N -1 0 247.338 3.255 20 0 BGADRM C[C@H]1CCN(CCCCC(=O)[O-])c2ccccc21 ZINC000181547138 132238573 /nfs/dbraw/zinc/23/85/73/132238573.db2.gz XJUAIQHYCZVYMD-LBPRGKRZSA-N -1 0 247.338 3.255 20 0 BGADRM Cc1ccc(N(CCCCC(=O)[O-])C(C)C)cc1 ZINC000181552766 633919789 /nfs/dbraw/zinc/91/97/89/633919789.db2.gz DDQOPOMFIJSLSJ-UHFFFAOYSA-N -1 0 249.354 3.465 20 0 BGADRM Cc1ccc2c(c1)N(CCCCC(=O)[O-])CCC2 ZINC000181562397 132238748 /nfs/dbraw/zinc/23/87/48/132238748.db2.gz ARXRZIHNAMDOEJ-UHFFFAOYSA-N -1 0 247.338 3.003 20 0 BGADRM O=C([O-])CCCCN(CC1CC1)c1ccccc1 ZINC000181571797 385584190 /nfs/dbraw/zinc/58/41/90/385584190.db2.gz FDBWUOMKNSZREN-UHFFFAOYSA-N -1 0 247.338 3.158 20 0 BGADRM Cc1ccc(NC(=O)[C@@H](C)CC(C)C)c(O)c1 ZINC000184475325 388578616 /nfs/dbraw/zinc/57/86/16/388578616.db2.gz MNJRASBIERZTKM-NSHDSACASA-N -1 0 235.327 3.321 20 0 BGADRM Cc1ccc(NC(=O)[C@H](C)CC(C)C)c(O)c1 ZINC000184475342 388578336 /nfs/dbraw/zinc/57/83/36/388578336.db2.gz MNJRASBIERZTKM-LLVKDONJSA-N -1 0 235.327 3.321 20 0 BGADRM CC(C)C[C@@H](C)C(=O)Nc1cccc(O)c1F ZINC000184912583 367108203 /nfs/dbraw/zinc/10/82/03/367108203.db2.gz WLBNFTOOQFPEDS-SECBINFHSA-N -1 0 239.290 3.152 20 0 BGADRM CC(C)C[C@H](C)C(=O)Nc1cccc(O)c1F ZINC000184912600 367108866 /nfs/dbraw/zinc/10/88/66/367108866.db2.gz WLBNFTOOQFPEDS-VIFPVBQESA-N -1 0 239.290 3.152 20 0 BGADRM Cc1ccc(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c(O)c1 ZINC000186403271 387095171 /nfs/dbraw/zinc/09/51/71/387095171.db2.gz TUGBXYZXISVKIF-NHYWBVRUSA-N -1 0 247.338 3.321 20 0 BGADRM Cc1ccc(NC(=O)[C@H]2C[C@@]2(C)C(C)C)c(O)c1 ZINC000186403293 387094992 /nfs/dbraw/zinc/09/49/92/387094992.db2.gz TUGBXYZXISVKIF-ABAIWWIYSA-N -1 0 247.338 3.321 20 0 BGADRM Cc1ccc(NC(=O)[C@@H]2C[C@]2(C)C(C)C)c(O)c1 ZINC000186403311 387095406 /nfs/dbraw/zinc/09/54/06/387095406.db2.gz TUGBXYZXISVKIF-XHDPSFHLSA-N -1 0 247.338 3.321 20 0 BGADRM Cc1ccc(NC(=O)[C@H]2C[C@]2(C)C(C)C)c(O)c1 ZINC000186403332 387095038 /nfs/dbraw/zinc/09/50/38/387095038.db2.gz TUGBXYZXISVKIF-IAQYHMDHSA-N -1 0 247.338 3.321 20 0 BGADRM C#C[C@H](C)/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000186846926 644151173 /nfs/dbraw/zinc/15/11/73/644151173.db2.gz UCYGNIQWSFQGHI-GYXDYACRSA-N -1 0 242.105 3.140 20 0 BGADRM C#C[C@@H](C)/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000186846944 644150529 /nfs/dbraw/zinc/15/05/29/644150529.db2.gz UCYGNIQWSFQGHI-IOCLVDNSSA-N -1 0 242.105 3.140 20 0 BGADRM O=C(C[C@@H]1C=CCCC1)Nc1cc(F)ccc1O ZINC000187271879 182016488 /nfs/dbraw/zinc/01/64/88/182016488.db2.gz MUEFVHSWXOIQOA-SNVBAGLBSA-N -1 0 249.285 3.216 20 0 BGADRM O=C(C[C@@H]1C=CCCC1)Nc1ccccc1O ZINC000188523226 182016968 /nfs/dbraw/zinc/01/69/68/182016968.db2.gz OINSDRWTSQKWEA-LLVKDONJSA-N -1 0 231.295 3.077 20 0 BGADRM Cc1ccc(NC(=O)C[C@H]2C=CCCC2)c(O)c1 ZINC000188886956 385101571 /nfs/dbraw/zinc/10/15/71/385101571.db2.gz UVUFISWXMUZHBG-LBPRGKRZSA-N -1 0 245.322 3.386 20 0 BGADRM CC[C@@H](C)CC(=O)Nc1ccc(Cl)cc1O ZINC000189797511 357662185 /nfs/dbraw/zinc/66/21/85/357662185.db2.gz YTHQAMAUGOKTLZ-MRVPVSSYSA-N -1 0 241.718 3.420 20 0 BGADRM CC[C@H](C)CC(=O)Nc1ccc(Cl)cc1O ZINC000189797527 357662204 /nfs/dbraw/zinc/66/22/04/357662204.db2.gz YTHQAMAUGOKTLZ-QMMMGPOBSA-N -1 0 241.718 3.420 20 0 BGADRM CC[C@@H](C)CC(=O)Nc1cccc(Cl)c1[O-] ZINC000189803758 385187544 /nfs/dbraw/zinc/18/75/44/385187544.db2.gz CKKFBDNHDPKHGS-MRVPVSSYSA-N -1 0 241.718 3.420 20 0 BGADRM CC[C@H](C)CC(=O)Nc1cccc(Cl)c1[O-] ZINC000189803773 171263249 /nfs/dbraw/zinc/26/32/49/171263249.db2.gz CKKFBDNHDPKHGS-QMMMGPOBSA-N -1 0 241.718 3.420 20 0 BGADRM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000190601687 385252107 /nfs/dbraw/zinc/25/21/07/385252107.db2.gz XNEVPFHMXVQUII-NXEZZACHSA-N -1 0 249.310 3.006 20 0 BGADRM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000190601702 171360863 /nfs/dbraw/zinc/36/08/63/171360863.db2.gz XNEVPFHMXVQUII-VHSXEESVSA-N -1 0 249.310 3.006 20 0 BGADRM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000190601714 385251103 /nfs/dbraw/zinc/25/11/03/385251103.db2.gz XNEVPFHMXVQUII-ZJUUUORDSA-N -1 0 249.310 3.006 20 0 BGADRM CC[C@H](C)[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000190601734 171385459 /nfs/dbraw/zinc/38/54/59/171385459.db2.gz XNEVPFHMXVQUII-UWVGGRQHSA-N -1 0 249.310 3.006 20 0 BGADRM C/C=C(\CC)C(=O)Nc1cc(Cl)ccc1O ZINC000190809588 385262888 /nfs/dbraw/zinc/26/28/88/385262888.db2.gz GWSOUJXCPWSJTH-FPYGCLRLSA-N -1 0 239.702 3.340 20 0 BGADRM CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000190876021 170769586 /nfs/dbraw/zinc/76/95/86/170769586.db2.gz ZSFGSBJUCVWCPB-NXEZZACHSA-N -1 0 249.310 3.006 20 0 BGADRM CC[C@H](C)[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000190876034 171361234 /nfs/dbraw/zinc/36/12/34/171361234.db2.gz ZSFGSBJUCVWCPB-VHSXEESVSA-N -1 0 249.310 3.006 20 0 BGADRM CC[C@@H](C)[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000190876047 170787659 /nfs/dbraw/zinc/78/76/59/170787659.db2.gz ZSFGSBJUCVWCPB-ZJUUUORDSA-N -1 0 249.310 3.006 20 0 BGADRM CC[C@H](C)[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000190876066 171385420 /nfs/dbraw/zinc/38/54/20/171385420.db2.gz ZSFGSBJUCVWCPB-UWVGGRQHSA-N -1 0 249.310 3.006 20 0 BGADRM CCC(CC)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000190876916 535014626 /nfs/dbraw/zinc/01/46/26/535014626.db2.gz HHGKLOJYXLRXON-UHFFFAOYSA-N -1 0 249.310 3.150 20 0 BGADRM C/C=C(\CC)C(=O)Nc1cccc(Cl)c1[O-] ZINC000190897015 641894016 /nfs/dbraw/zinc/89/40/16/641894016.db2.gz RAVIHVWPCSCEFU-FPYGCLRLSA-N -1 0 239.702 3.340 20 0 BGADRM CC(C)c1cc(C(=O)N(C)C)c(O)c(C(C)C)c1 ZINC000193996136 388720928 /nfs/dbraw/zinc/72/09/28/388720928.db2.gz REJDQFAQIOXBQA-UHFFFAOYSA-N -1 0 249.354 3.341 20 0 BGADRM C[C@@H](CSCC1CCCCC1)C(=O)[O-] ZINC000203590882 589249781 /nfs/dbraw/zinc/24/97/81/589249781.db2.gz WDVLEFOOAUCJKU-VIFPVBQESA-N -1 0 216.346 3.021 20 0 BGADRM C[C@H](CSCC1CCCCC1)C(=O)[O-] ZINC000203590886 589250284 /nfs/dbraw/zinc/25/02/84/589250284.db2.gz WDVLEFOOAUCJKU-SECBINFHSA-N -1 0 216.346 3.021 20 0 BGADRM C[C@@H](CC(=O)[O-])SCC1CCCCC1 ZINC000203603047 589252710 /nfs/dbraw/zinc/25/27/10/589252710.db2.gz KHXBLUQYQFYFOH-VIFPVBQESA-N -1 0 216.346 3.163 20 0 BGADRM C[C@H](CC(=O)[O-])SCC1CCCCC1 ZINC000203603051 589252685 /nfs/dbraw/zinc/25/26/85/589252685.db2.gz KHXBLUQYQFYFOH-SECBINFHSA-N -1 0 216.346 3.163 20 0 BGADRM O=C([O-])c1ccnc(/C=C\c2ccc(F)cc2)c1 ZINC000203636005 345731072 /nfs/dbraw/zinc/73/10/72/345731072.db2.gz HGMDSMBDCBSFHD-UTCJRWHESA-N -1 0 243.237 3.089 20 0 BGADRM O=C([O-])c1ccc(OC/C(Cl)=C\Cl)cc1 ZINC000211263613 591152425 /nfs/dbraw/zinc/15/24/25/591152425.db2.gz WXLIGTBLXXKSMK-VMPITWQZSA-N -1 0 247.077 3.083 20 0 BGADRM O=C([O-])c1cccc(OC/C(Cl)=C\Cl)c1 ZINC000211268888 591152027 /nfs/dbraw/zinc/15/20/27/591152027.db2.gz QIZAIPGYJNLRAT-VMPITWQZSA-N -1 0 247.077 3.083 20 0 BGADRM C[C@@H](CSC/C=C\c1ccccc1)C(=O)[O-] ZINC000212339298 591352611 /nfs/dbraw/zinc/35/26/11/591352611.db2.gz OUMQALURSVRQMI-OFSNVTPPSA-N -1 0 236.336 3.154 20 0 BGADRM C[C@H](CSC/C=C\c1ccccc1)C(=O)[O-] ZINC000212339360 591353304 /nfs/dbraw/zinc/35/33/04/591353304.db2.gz OUMQALURSVRQMI-UIJKISKDSA-N -1 0 236.336 3.154 20 0 BGADRM Cc1ccccc1NC1CCC(CC(=O)[O-])CC1 ZINC000213704422 641838946 /nfs/dbraw/zinc/83/89/46/641838946.db2.gz FMLQSCCHCJZSEL-UHFFFAOYSA-N -1 0 247.338 3.440 20 0 BGADRM Cc1cccc(NC2CCC(CC(=O)[O-])CC2)c1 ZINC000213704505 641838279 /nfs/dbraw/zinc/83/82/79/641838279.db2.gz RUEPPUGYPUBBRF-UHFFFAOYSA-N -1 0 247.338 3.440 20 0 BGADRM C/C(=C/CSc1ccccc1Cl)C(=O)[O-] ZINC000214582855 591635724 /nfs/dbraw/zinc/63/57/24/591635724.db2.gz XOVFAEYKBYWCKP-VURMDHGXSA-N -1 0 242.727 3.463 20 0 BGADRM C/C(=C/CSc1ccc(C)cc1C)C(=O)[O-] ZINC000214582978 591635226 /nfs/dbraw/zinc/63/52/26/591635226.db2.gz ZMSMPBJEVBVDBC-POHAHGRESA-N -1 0 236.336 3.426 20 0 BGADRM C/C(=C/CSc1cc(C)ccc1C)C(=O)[O-] ZINC000214590944 591635333 /nfs/dbraw/zinc/63/53/33/591635333.db2.gz FMSJSNFKNOPEPL-WDZFZDKYSA-N -1 0 236.336 3.426 20 0 BGADRM C/C(=C/CSc1ccc(Cl)cc1)C(=O)[O-] ZINC000214607330 591672296 /nfs/dbraw/zinc/67/22/96/591672296.db2.gz OIGSSAMAEANXNQ-VURMDHGXSA-N -1 0 242.727 3.463 20 0 BGADRM C/C(=C/CSc1ccccc1C)C(=O)[O-] ZINC000214608121 591675467 /nfs/dbraw/zinc/67/54/67/591675467.db2.gz URBIIEDZNQEIHY-YFHOEESVSA-N -1 0 222.309 3.118 20 0 BGADRM C/C(=C/CSC1CCCCC1)C(=O)[O-] ZINC000214616435 591675654 /nfs/dbraw/zinc/67/56/54/591675654.db2.gz OYAYDQTXMKFBHD-CLFYSBASSA-N -1 0 214.330 3.083 20 0 BGADRM C/C(=C/COc1cc(C)ccc1Cl)C(=O)[O-] ZINC000214623237 591675498 /nfs/dbraw/zinc/67/54/98/591675498.db2.gz JGMHNAKZHJRFTN-UITAMQMPSA-N -1 0 240.686 3.058 20 0 BGADRM C/C(=C/CSc1ccc(C)cc1)C(=O)[O-] ZINC000214641088 583837479 /nfs/dbraw/zinc/83/74/79/583837479.db2.gz VHJFWMUVRJGGAL-YFHOEESVSA-N -1 0 222.309 3.118 20 0 BGADRM C/C(=C/CSc1ccc2c(c1)CCC2)C(=O)[O-] ZINC000214641431 591700308 /nfs/dbraw/zinc/70/03/08/591700308.db2.gz VKBJMNMXYURUES-YFHOEESVSA-N -1 0 248.347 3.298 20 0 BGADRM C/C(=C/CSc1cccc(C)c1)C(=O)[O-] ZINC000214641613 591700858 /nfs/dbraw/zinc/70/08/58/591700858.db2.gz RFRDGODGBGMLCW-POHAHGRESA-N -1 0 222.309 3.118 20 0 BGADRM C/C(=C/CSc1ccc(F)c(F)c1)C(=O)[O-] ZINC000214703329 591738327 /nfs/dbraw/zinc/73/83/27/591738327.db2.gz FUGWRBBXIQSNCD-DAXSKMNVSA-N -1 0 244.262 3.088 20 0 BGADRM C/C(=C/CSc1cccc(Cl)c1)C(=O)[O-] ZINC000214703901 583850087 /nfs/dbraw/zinc/85/00/87/583850087.db2.gz DRNXUBJOOILGIK-YVMONPNESA-N -1 0 242.727 3.463 20 0 BGADRM C/C(=C/CSc1ccc(C)c(C)c1)C(=O)[O-] ZINC000214711607 591738339 /nfs/dbraw/zinc/73/83/39/591738339.db2.gz GDSQQEGGRUXILE-POHAHGRESA-N -1 0 236.336 3.426 20 0 BGADRM C/C(=C/CSc1cc(F)ccc1F)C(=O)[O-] ZINC000214711919 600726144 /nfs/dbraw/zinc/72/61/44/600726144.db2.gz TVWFZWKOGQIETL-DAXSKMNVSA-N -1 0 244.262 3.088 20 0 BGADRM C/C(=C/CSCc1ccccc1C)C(=O)[O-] ZINC000214712348 591738523 /nfs/dbraw/zinc/73/85/23/591738523.db2.gz VOUDIRQJKUXUKO-XFFZJAGNSA-N -1 0 236.336 3.259 20 0 BGADRM C/C(=C/CSc1ccc(F)cc1F)C(=O)[O-] ZINC000214720864 601098695 /nfs/dbraw/zinc/09/86/95/601098695.db2.gz RJUDBLLOQLGOIJ-DAXSKMNVSA-N -1 0 244.262 3.088 20 0 BGADRM C[C@@H](CC(=O)[O-])SC/C=C\c1ccccc1 ZINC000217933892 592150246 /nfs/dbraw/zinc/15/02/46/592150246.db2.gz WZZUVWFUTZAGAC-OFSNVTPPSA-N -1 0 236.336 3.296 20 0 BGADRM C[C@H](CC(=O)[O-])SC/C=C\c1ccccc1 ZINC000217933976 592150744 /nfs/dbraw/zinc/15/07/44/592150744.db2.gz WZZUVWFUTZAGAC-UIJKISKDSA-N -1 0 236.336 3.296 20 0 BGADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000220314580 182347882 /nfs/dbraw/zinc/34/78/82/182347882.db2.gz AZMVMUJKUKZXEW-UHFFFAOYSA-N -1 0 246.093 3.048 20 0 BGADRM CC(C)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000220315238 388603972 /nfs/dbraw/zinc/60/39/72/388603972.db2.gz FOQFHEAUFWNWBK-UHFFFAOYSA-N -1 0 248.109 3.294 20 0 BGADRM CCCC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000220320914 388603171 /nfs/dbraw/zinc/60/31/71/388603171.db2.gz QTWJASPYARNIMO-UHFFFAOYSA-N -1 0 248.109 3.438 20 0 BGADRM O=C([O-])N1Cc2ccccc2-c2ccccc21 ZINC000220599058 592318714 /nfs/dbraw/zinc/31/87/14/592318714.db2.gz YKQLYJYQTJNIBR-UHFFFAOYSA-N -1 0 225.247 3.352 20 0 BGADRM C[C@@H](NC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000223310287 592527104 /nfs/dbraw/zinc/52/71/04/592527104.db2.gz XPNJRFGOAONORQ-ZCFIWIBFSA-N -1 0 233.189 3.034 20 0 BGADRM O=C([O-])c1coc(-c2ccccc2Cl)c1 ZINC000223846436 358227339 /nfs/dbraw/zinc/22/73/39/358227339.db2.gz ARXQPBPIGROIJL-UHFFFAOYSA-N -1 0 222.627 3.298 20 0 BGADRM C[C@@H]1CC[C@@H](Nc2cccc(C(=O)[O-])n2)[C@@H](C)C1 ZINC000226204875 604712182 /nfs/dbraw/zinc/71/21/82/604712182.db2.gz HMDXBKVPZGFMOX-OUAUKWLOSA-N -1 0 248.326 3.016 20 0 BGADRM C[C@@H]1CC[C@H](Nc2cccc(C(=O)[O-])n2)[C@@H](C)C1 ZINC000226204888 604712309 /nfs/dbraw/zinc/71/23/09/604712309.db2.gz HMDXBKVPZGFMOX-VWYCJHECSA-N -1 0 248.326 3.016 20 0 BGADRM C[C@H](CC(=O)[O-])S[C@@H]1CCC[C@@H](C)C1 ZINC000226541757 600379652 /nfs/dbraw/zinc/37/96/52/600379652.db2.gz QPDKTQGWRJCKLD-OPRDCNLKSA-N -1 0 216.346 3.162 20 0 BGADRM C[C@H](CC(=O)[O-])S[C@H]1CCC[C@@H](C)C1 ZINC000226541765 600379507 /nfs/dbraw/zinc/37/95/07/600379507.db2.gz QPDKTQGWRJCKLD-BBBLOLIVSA-N -1 0 216.346 3.162 20 0 BGADRM C[C@@H](CS[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000226542741 600379569 /nfs/dbraw/zinc/37/95/69/600379569.db2.gz FIZRLZKFRVODIM-KXUCPTDWSA-N -1 0 216.346 3.019 20 0 BGADRM C[C@@H](CS[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000226542751 600379750 /nfs/dbraw/zinc/37/97/50/600379750.db2.gz FIZRLZKFRVODIM-UTLUCORTSA-N -1 0 216.346 3.019 20 0 BGADRM CC[C@@H](C)CN1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000226667997 350446882 /nfs/dbraw/zinc/44/68/82/350446882.db2.gz NRRNZHGFWKOTQF-DGCLKSJQSA-N -1 0 247.338 3.111 20 0 BGADRM CC[C@H](C)CN1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000226668004 358342879 /nfs/dbraw/zinc/34/28/79/358342879.db2.gz NRRNZHGFWKOTQF-WCQYABFASA-N -1 0 247.338 3.111 20 0 BGADRM CC[C@@H](C)CN1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000226933652 601832174 /nfs/dbraw/zinc/83/21/74/601832174.db2.gz IZZASZFNHWCKBO-VXGBXAGGSA-N -1 0 247.338 3.111 20 0 BGADRM CC[C@H](C)CN1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000226933654 601832032 /nfs/dbraw/zinc/83/20/32/601832032.db2.gz IZZASZFNHWCKBO-NWDGAFQWSA-N -1 0 247.338 3.111 20 0 BGADRM Cc1cccc(NC(=O)c2ccc(F)cc2[O-])c1 ZINC000228305822 259376122 /nfs/dbraw/zinc/37/61/22/259376122.db2.gz UMCWDQDZVDNNAN-UHFFFAOYSA-N -1 0 245.253 3.092 20 0 BGADRM Cc1ccc(NC(=O)c2ccc(F)cc2[O-])cc1 ZINC000228305890 259375830 /nfs/dbraw/zinc/37/58/30/259375830.db2.gz CSCVSWSQSNTBSB-UHFFFAOYSA-N -1 0 245.253 3.092 20 0 BGADRM Cc1ccoc1CNc1cc(C(=O)[O-])ccc1C ZINC000229474952 387175594 /nfs/dbraw/zinc/17/55/94/387175594.db2.gz PMGHLHSLLFRUPL-UHFFFAOYSA-N -1 0 245.278 3.207 20 0 BGADRM Cc1ccoc1CNc1cccc(C(=O)[O-])c1C ZINC000229475340 387175324 /nfs/dbraw/zinc/17/53/24/387175324.db2.gz WERDEGKSUWKBQU-UHFFFAOYSA-N -1 0 245.278 3.207 20 0 BGADRM O=C(OCCC1CC1)c1cc([S-])ccc1F ZINC000229601249 711838586 /nfs/dbraw/zinc/83/85/86/711838586.db2.gz OXBNQECOJLCZCX-UHFFFAOYSA-N -1 0 240.299 3.071 20 0 BGADRM O=C(CC1CCC1)Nc1ccc(O)cc1Cl ZINC000232162023 351999779 /nfs/dbraw/zinc/99/97/79/351999779.db2.gz OODUIJQPPDLKFM-UHFFFAOYSA-N -1 0 239.702 3.174 20 0 BGADRM Cc1oc(C(=O)[O-])cc1CNc1cccc(C)c1 ZINC000232424056 601389619 /nfs/dbraw/zinc/38/96/19/601389619.db2.gz RKEZJAOACNEXCY-UHFFFAOYSA-N -1 0 245.278 3.207 20 0 BGADRM CCCC[C@@H](Nc1ccc(C)cc1C)C(=O)[O-] ZINC000232424180 600154666 /nfs/dbraw/zinc/15/46/66/600154666.db2.gz RIAAOAINSCGWTN-CYBMUJFWSA-N -1 0 235.327 3.359 20 0 BGADRM CCCC[C@H](Nc1ccc(C)cc1C)C(=O)[O-] ZINC000232424182 600154669 /nfs/dbraw/zinc/15/46/69/600154669.db2.gz RIAAOAINSCGWTN-ZDUSSCGKSA-N -1 0 235.327 3.359 20 0 BGADRM CC(C)(C)c1ccc(N[C@@H](C(=O)[O-])C2CC2)cc1 ZINC000232429264 605059930 /nfs/dbraw/zinc/05/99/30/605059930.db2.gz UWBQFRPKOWSGFZ-CYBMUJFWSA-N -1 0 247.338 3.259 20 0 BGADRM CC(C)(C)c1ccc(N[C@H](C(=O)[O-])C2CC2)cc1 ZINC000232429265 605060019 /nfs/dbraw/zinc/06/00/19/605060019.db2.gz UWBQFRPKOWSGFZ-ZDUSSCGKSA-N -1 0 247.338 3.259 20 0 BGADRM Cc1oc(C(=O)[O-])cc1CNc1cccc(F)c1 ZINC000232436823 601389005 /nfs/dbraw/zinc/38/90/05/601389005.db2.gz VABMVCSDURINAG-UHFFFAOYSA-N -1 0 249.241 3.037 20 0 BGADRM CCCC[C@@H](Nc1cccc(C)c1C)C(=O)[O-] ZINC000232438953 600154725 /nfs/dbraw/zinc/15/47/25/600154725.db2.gz RQBCHURDULVJQI-CYBMUJFWSA-N -1 0 235.327 3.359 20 0 BGADRM CCCC[C@H](Nc1cccc(C)c1C)C(=O)[O-] ZINC000232438955 600154579 /nfs/dbraw/zinc/15/45/79/600154579.db2.gz RQBCHURDULVJQI-ZDUSSCGKSA-N -1 0 235.327 3.359 20 0 BGADRM Cc1oc(C(=O)[O-])cc1CNc1ccc(C)cc1 ZINC000232439062 601389780 /nfs/dbraw/zinc/38/97/80/601389780.db2.gz COGZNDRZBXKHPU-UHFFFAOYSA-N -1 0 245.278 3.207 20 0 BGADRM CCCC[C@@H](Nc1cc(C)ccc1C)C(=O)[O-] ZINC000232439188 600154582 /nfs/dbraw/zinc/15/45/82/600154582.db2.gz HJLDZDSFGOSYTA-GFCCVEGCSA-N -1 0 235.327 3.359 20 0 BGADRM CCCC[C@H](Nc1cc(C)ccc1C)C(=O)[O-] ZINC000232439190 600154670 /nfs/dbraw/zinc/15/46/70/600154670.db2.gz HJLDZDSFGOSYTA-LBPRGKRZSA-N -1 0 235.327 3.359 20 0 BGADRM Cc1oc(C(=O)[O-])cc1CNc1ccccc1C ZINC000232439533 601389164 /nfs/dbraw/zinc/38/91/64/601389164.db2.gz XBPOKCDLGYORIR-UHFFFAOYSA-N -1 0 245.278 3.207 20 0 BGADRM Cc1oc(C(=O)[O-])cc1CNc1ccccc1F ZINC000232441202 601389126 /nfs/dbraw/zinc/38/91/26/601389126.db2.gz AXLUHHJSQHIBHR-UHFFFAOYSA-N -1 0 249.241 3.037 20 0 BGADRM Cc1ccc(F)c(NCc2ccoc2C(=O)[O-])c1 ZINC000232445277 604776729 /nfs/dbraw/zinc/77/67/29/604776729.db2.gz WWNXPBOTCNAPMR-UHFFFAOYSA-N -1 0 249.241 3.037 20 0 BGADRM CC(C)CCOC(=O)c1cc([S-])ccc1F ZINC000232560135 641300452 /nfs/dbraw/zinc/30/04/52/641300452.db2.gz SRAJVSHXXSTBNJ-UHFFFAOYSA-N -1 0 242.315 3.317 20 0 BGADRM CC(C)CSCc1ccc(C(=O)[O-])c(F)c1 ZINC000232600969 601670699 /nfs/dbraw/zinc/67/06/99/601670699.db2.gz QZTFGWWELFNVCY-UHFFFAOYSA-N -1 0 242.315 3.413 20 0 BGADRM CC(C)SCc1ccc(C(=O)[O-])c(F)c1 ZINC000232697381 601812647 /nfs/dbraw/zinc/81/26/47/601812647.db2.gz FDKAGXXWPHTCJS-UHFFFAOYSA-N -1 0 228.288 3.166 20 0 BGADRM CC(C)[C@H](C)SCc1ccoc1C(=O)[O-] ZINC000232706513 600844142 /nfs/dbraw/zinc/84/41/42/600844142.db2.gz BNEFLTGSWUMGCB-QMMMGPOBSA-N -1 0 228.313 3.256 20 0 BGADRM CC(C)[C@H](C)SCc1occc1C(=O)[O-] ZINC000232708061 600844218 /nfs/dbraw/zinc/84/42/18/600844218.db2.gz XGMAMNODOCHXFA-QMMMGPOBSA-N -1 0 228.313 3.256 20 0 BGADRM CC(C)[C@@H](C)SCCCCC(=O)[O-] ZINC000232744310 597756885 /nfs/dbraw/zinc/75/68/85/597756885.db2.gz RUNRXVSKCSSJFW-SECBINFHSA-N -1 0 204.335 3.019 20 0 BGADRM CC(C)[C@H](C)SCCCCC(=O)[O-] ZINC000232771624 597756985 /nfs/dbraw/zinc/75/69/85/597756985.db2.gz RUNRXVSKCSSJFW-VIFPVBQESA-N -1 0 204.335 3.019 20 0 BGADRM CC(C)[C@@H](C)SCc1cc(C(=O)[O-])co1 ZINC000232774378 600844130 /nfs/dbraw/zinc/84/41/30/600844130.db2.gz NTSNGLYZRHVILR-MRVPVSSYSA-N -1 0 228.313 3.256 20 0 BGADRM CC(C)[C@@H](C)SCc1ccc(C(=O)[O-])o1 ZINC000232778751 600844128 /nfs/dbraw/zinc/84/41/28/600844128.db2.gz QSNVCZKMFAEUET-MRVPVSSYSA-N -1 0 228.313 3.256 20 0 BGADRM CC(C)[C@@H](C)SCc1ccoc1C(=O)[O-] ZINC000232785078 600844024 /nfs/dbraw/zinc/84/40/24/600844024.db2.gz BNEFLTGSWUMGCB-MRVPVSSYSA-N -1 0 228.313 3.256 20 0 BGADRM CC(C)[C@@H](C)SCc1occc1C(=O)[O-] ZINC000232786151 600844097 /nfs/dbraw/zinc/84/40/97/600844097.db2.gz XGMAMNODOCHXFA-MRVPVSSYSA-N -1 0 228.313 3.256 20 0 BGADRM CC(C)[C@H](C)SCc1cc(C(=O)[O-])co1 ZINC000232794847 600843938 /nfs/dbraw/zinc/84/39/38/600843938.db2.gz NTSNGLYZRHVILR-QMMMGPOBSA-N -1 0 228.313 3.256 20 0 BGADRM CC(C)[C@H](C)SCc1ccc(C(=O)[O-])o1 ZINC000232797857 600843848 /nfs/dbraw/zinc/84/38/48/600843848.db2.gz QSNVCZKMFAEUET-QMMMGPOBSA-N -1 0 228.313 3.256 20 0 BGADRM CC1(CNc2cccc(C(=O)[O-])n2)CCCCC1 ZINC000232804210 604715451 /nfs/dbraw/zinc/71/54/51/604715451.db2.gz XBSRLTRHPOBONS-UHFFFAOYSA-N -1 0 248.326 3.162 20 0 BGADRM CCCCOC(=O)c1cc([S-])ccc1F ZINC000232973472 642636749 /nfs/dbraw/zinc/63/67/49/642636749.db2.gz OWWRNAHFQTUKKM-UHFFFAOYSA-N -1 0 228.288 3.071 20 0 BGADRM CCCC[C@@H](Nc1cccc(F)c1C)C(=O)[O-] ZINC000232979077 600806829 /nfs/dbraw/zinc/80/68/29/600806829.db2.gz CKRUGPPHEMVNRH-GFCCVEGCSA-N -1 0 239.290 3.189 20 0 BGADRM CCCC[C@H](S[C@@H](C)C(C)C)C(=O)[O-] ZINC000232989263 600844584 /nfs/dbraw/zinc/84/45/84/600844584.db2.gz KVBCBTZYJKHWDS-UWVGGRQHSA-N -1 0 218.362 3.408 20 0 BGADRM CCCC[C@H](S[C@H](C)C(C)C)C(=O)[O-] ZINC000232989425 600844607 /nfs/dbraw/zinc/84/46/07/600844607.db2.gz KVBCBTZYJKHWDS-ZJUUUORDSA-N -1 0 218.362 3.408 20 0 BGADRM CCCC[C@H](Sc1nc(C)c(C)o1)C(=O)[O-] ZINC000232990028 600936885 /nfs/dbraw/zinc/93/68/85/600936885.db2.gz VZWABEZBODERDU-VIFPVBQESA-N -1 0 243.328 3.027 20 0 BGADRM CCCC[C@@H](SC[C@@H](C)CC)C(=O)[O-] ZINC000232992139 601677273 /nfs/dbraw/zinc/67/72/73/601677273.db2.gz ZZXNLNXSNAYNGL-VHSXEESVSA-N -1 0 218.362 3.409 20 0 BGADRM CCCC[C@@H](SC[C@H](C)CC)C(=O)[O-] ZINC000232992257 601677349 /nfs/dbraw/zinc/67/73/49/601677349.db2.gz ZZXNLNXSNAYNGL-NXEZZACHSA-N -1 0 218.362 3.409 20 0 BGADRM CCCC[C@@H](S[C@@H](C)C(C)C)C(=O)[O-] ZINC000232992440 600844603 /nfs/dbraw/zinc/84/46/03/600844603.db2.gz KVBCBTZYJKHWDS-VHSXEESVSA-N -1 0 218.362 3.408 20 0 BGADRM CCCC[C@@H](S[C@H](C)C(C)C)C(=O)[O-] ZINC000232992562 600844435 /nfs/dbraw/zinc/84/44/35/600844435.db2.gz KVBCBTZYJKHWDS-NXEZZACHSA-N -1 0 218.362 3.408 20 0 BGADRM CCCC[C@@H](Sc1nc(C)c(C)o1)C(=O)[O-] ZINC000232993045 600937046 /nfs/dbraw/zinc/93/70/46/600937046.db2.gz VZWABEZBODERDU-SECBINFHSA-N -1 0 243.328 3.027 20 0 BGADRM CCCCCSCc1ccoc1C(=O)[O-] ZINC000233065867 600439955 /nfs/dbraw/zinc/43/99/55/600439955.db2.gz QJDNRIHCBLVCSW-UHFFFAOYSA-N -1 0 228.313 3.401 20 0 BGADRM CCCSCc1ccc(C(=O)[O-])c(F)c1 ZINC000233260668 601812427 /nfs/dbraw/zinc/81/24/27/601812427.db2.gz KIVZVYLHUGASDR-UHFFFAOYSA-N -1 0 228.288 3.167 20 0 BGADRM CCC[C@@H](C)OC(=O)c1cc([S-])ccc1F ZINC000233282078 635528031 /nfs/dbraw/zinc/52/80/31/635528031.db2.gz JXVYURSWJHPVST-MRVPVSSYSA-N -1 0 242.315 3.460 20 0 BGADRM CCC[C@@H](C)Sc1ncccc1C(=O)[O-] ZINC000233284522 601473074 /nfs/dbraw/zinc/47/30/74/601473074.db2.gz BGDVUFWKYNAVCF-MRVPVSSYSA-N -1 0 225.313 3.061 20 0 BGADRM CCC[C@H](C)OC(=O)c1cc([S-])ccc1F ZINC000233342332 635531369 /nfs/dbraw/zinc/53/13/69/635531369.db2.gz JXVYURSWJHPVST-QMMMGPOBSA-N -1 0 242.315 3.460 20 0 BGADRM CCC[C@H](C)Sc1ncccc1C(=O)[O-] ZINC000233344944 601473090 /nfs/dbraw/zinc/47/30/90/601473090.db2.gz BGDVUFWKYNAVCF-QMMMGPOBSA-N -1 0 225.313 3.061 20 0 BGADRM CC[C@@H](C)CSCc1cc(C(=O)[O-])co1 ZINC000233838783 601677406 /nfs/dbraw/zinc/67/74/06/601677406.db2.gz HLFXBLWYABYNDT-MRVPVSSYSA-N -1 0 228.313 3.257 20 0 BGADRM CC[C@@H](C)CSCc1ccc(C(=O)[O-])o1 ZINC000233840509 601677942 /nfs/dbraw/zinc/67/79/42/601677942.db2.gz FCSYHVROQRWSMZ-MRVPVSSYSA-N -1 0 228.313 3.257 20 0 BGADRM CC[C@@H](C)CSCc1ccoc1C(=O)[O-] ZINC000233842712 601677387 /nfs/dbraw/zinc/67/73/87/601677387.db2.gz XVCOGVXOGBKZJE-MRVPVSSYSA-N -1 0 228.313 3.257 20 0 BGADRM CC[C@@H](C)CSCc1occc1C(=O)[O-] ZINC000233843192 601677512 /nfs/dbraw/zinc/67/75/12/601677512.db2.gz GQFOKIONRVZVKB-MRVPVSSYSA-N -1 0 228.313 3.257 20 0 BGADRM CC[C@@H](C)OC(=O)c1cc([S-])ccc1F ZINC000233845362 642701593 /nfs/dbraw/zinc/70/15/93/642701593.db2.gz QRGDRJKFBLQSEZ-SSDOTTSWSA-N -1 0 228.288 3.070 20 0 BGADRM CC[C@H](C)OC(=O)c1cc([S-])ccc1F ZINC000234006215 643176909 /nfs/dbraw/zinc/17/69/09/643176909.db2.gz QRGDRJKFBLQSEZ-ZETCQYMHSA-N -1 0 228.288 3.070 20 0 BGADRM CC[C@H](C)CSCc1cc(C(=O)[O-])co1 ZINC000234016749 601677437 /nfs/dbraw/zinc/67/74/37/601677437.db2.gz HLFXBLWYABYNDT-QMMMGPOBSA-N -1 0 228.313 3.257 20 0 BGADRM CC[C@H](C)CSCc1ccc(C(=O)[O-])o1 ZINC000234017857 601677908 /nfs/dbraw/zinc/67/79/08/601677908.db2.gz FCSYHVROQRWSMZ-QMMMGPOBSA-N -1 0 228.313 3.257 20 0 BGADRM CC[C@H](C)CSCc1ccoc1C(=O)[O-] ZINC000234019350 601677393 /nfs/dbraw/zinc/67/73/93/601677393.db2.gz XVCOGVXOGBKZJE-QMMMGPOBSA-N -1 0 228.313 3.257 20 0 BGADRM CC[C@H](C)CSCc1occc1C(=O)[O-] ZINC000234019654 601677441 /nfs/dbraw/zinc/67/74/41/601677441.db2.gz GQFOKIONRVZVKB-QMMMGPOBSA-N -1 0 228.313 3.257 20 0 BGADRM C[C@@H]1CCC[C@@H](CNc2cccc(C(=O)[O-])n2)C1 ZINC000235339774 604710471 /nfs/dbraw/zinc/71/04/71/604710471.db2.gz BRQZAJBTEQNLFX-GHMZBOCLSA-N -1 0 248.326 3.018 20 0 BGADRM C[C@H]1CCC[C@@H](CNc2cccc(C(=O)[O-])n2)C1 ZINC000235634989 604710472 /nfs/dbraw/zinc/71/04/72/604710472.db2.gz BRQZAJBTEQNLFX-WDEREUQCSA-N -1 0 248.326 3.018 20 0 BGADRM C[C@H]1CCC[C@H](CNc2cccc(C(=O)[O-])n2)C1 ZINC000235654231 604710470 /nfs/dbraw/zinc/71/04/70/604710470.db2.gz BRQZAJBTEQNLFX-QWRGUYRKSA-N -1 0 248.326 3.018 20 0 BGADRM Cc1cc(NCC2(C)CCC2)ccc1C(=O)[O-] ZINC000235861156 488141006 /nfs/dbraw/zinc/14/10/06/488141006.db2.gz JUFBSORWASFJPO-UHFFFAOYSA-N -1 0 233.311 3.295 20 0 BGADRM O=C(OC1CCCC1)c1cc([S-])ccc1F ZINC000236153272 635595887 /nfs/dbraw/zinc/59/58/87/635595887.db2.gz KXXUXNVMIVVTFY-UHFFFAOYSA-N -1 0 240.299 3.214 20 0 BGADRM O=C([O-])c1ccc(COc2ccccc2)cc1F ZINC000236480837 601627449 /nfs/dbraw/zinc/62/74/49/601627449.db2.gz MNEWPUWZHWGJRR-UHFFFAOYSA-N -1 0 246.237 3.103 20 0 BGADRM [O-]c1cc(F)c(Cl)cc1-c1ccccn1 ZINC000236568935 643689096 /nfs/dbraw/zinc/68/90/96/643689096.db2.gz ZRWMNXMJSABLJL-UHFFFAOYSA-N -1 0 223.634 3.247 20 0 BGADRM CCC[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000236855636 169356914 /nfs/dbraw/zinc/35/69/14/169356914.db2.gz OFJUEHLKNUYNBC-SNVBAGLBSA-N -1 0 249.310 3.150 20 0 BGADRM CCC[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000236856226 169356790 /nfs/dbraw/zinc/35/67/90/169356790.db2.gz KPGKRYCCEDOMGS-SNVBAGLBSA-N -1 0 249.310 3.150 20 0 BGADRM CCC[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237006481 169478701 /nfs/dbraw/zinc/47/87/01/169478701.db2.gz KPGKRYCCEDOMGS-JTQLQIEISA-N -1 0 249.310 3.150 20 0 BGADRM CN(CCCC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000237042657 600226286 /nfs/dbraw/zinc/22/62/86/600226286.db2.gz WRJCHXKCANPHED-UHFFFAOYSA-N -1 0 249.354 3.285 20 0 BGADRM CCCC[C@H](CCC)SCC(=O)[O-] ZINC000238210570 600032605 /nfs/dbraw/zinc/03/26/05/600032605.db2.gz MUWCFXFAVAFCAX-VIFPVBQESA-N -1 0 204.335 3.163 20 0 BGADRM CCCC[C@@H](CCC)SCC(=O)[O-] ZINC000238211153 600032828 /nfs/dbraw/zinc/03/28/28/600032828.db2.gz MUWCFXFAVAFCAX-SECBINFHSA-N -1 0 204.335 3.163 20 0 BGADRM Cc1ccc(C)c(-c2cc(C(=O)[O-])co2)c1 ZINC000238471587 343257314 /nfs/dbraw/zinc/25/73/14/343257314.db2.gz FAMCVOSZZFEZRZ-UHFFFAOYSA-N -1 0 216.236 3.262 20 0 BGADRM Cc1cc(-c2ccccc2)c(C(=O)[O-])s1 ZINC000238533165 487667075 /nfs/dbraw/zinc/66/70/75/487667075.db2.gz TZFDMTHFKWUKQH-UHFFFAOYSA-N -1 0 218.277 3.422 20 0 BGADRM C[C@H]1C[C@H](Nc2cccc(C(=O)[O-])n2)C[C@@H](C)C1 ZINC000251802762 604714154 /nfs/dbraw/zinc/71/41/54/604714154.db2.gz GIYCLDDABYXKHX-URLYPYJESA-N -1 0 248.326 3.016 20 0 BGADRM C[C@@H]1CCC[C@@H](Nc2cccc(C(=O)[O-])n2)[C@H]1C ZINC000252197351 604709235 /nfs/dbraw/zinc/70/92/35/604709235.db2.gz SPCVHGWSOVWEMI-OUAUKWLOSA-N -1 0 248.326 3.016 20 0 BGADRM C[C@@H]1CCC[C@H](Nc2cccc(C(=O)[O-])n2)[C@H]1C ZINC000252197352 604709022 /nfs/dbraw/zinc/70/90/22/604709022.db2.gz SPCVHGWSOVWEMI-VWYCJHECSA-N -1 0 248.326 3.016 20 0 BGADRM C[C@@H]1CCC[C@@H](Nc2ccc(C(=O)[O-])cn2)[C@H]1C ZINC000252197565 644842008 /nfs/dbraw/zinc/84/20/08/644842008.db2.gz SPTVEECYZDTUBZ-JFGNBEQYSA-N -1 0 248.326 3.016 20 0 BGADRM C[C@@H]1CCC[C@H](Nc2ccc(C(=O)[O-])cn2)[C@H]1C ZINC000252197567 644842265 /nfs/dbraw/zinc/84/22/65/644842265.db2.gz SPTVEECYZDTUBZ-SCVCMEIPSA-N -1 0 248.326 3.016 20 0 BGADRM CC(C)(CCNc1ccc(Cl)cc1)C(=O)[O-] ZINC000258551709 635169810 /nfs/dbraw/zinc/16/98/10/635169810.db2.gz AMYRNYLPMUYYOE-UHFFFAOYSA-N -1 0 241.718 3.253 20 0 BGADRM CC(C)(CCNc1cccc(Cl)c1)C(=O)[O-] ZINC000258563178 635168295 /nfs/dbraw/zinc/16/82/95/635168295.db2.gz BYKHDLCKBNLKBW-UHFFFAOYSA-N -1 0 241.718 3.253 20 0 BGADRM CC(C)(CCNc1ccccc1Cl)C(=O)[O-] ZINC000258586052 635171781 /nfs/dbraw/zinc/17/17/81/635171781.db2.gz FPUBUMMQKNIKPG-UHFFFAOYSA-N -1 0 241.718 3.253 20 0 BGADRM CN(Cc1csc2ccccc12)C(=O)[O-] ZINC000258606155 602666225 /nfs/dbraw/zinc/66/62/25/602666225.db2.gz AABVACRMSVPJRO-UHFFFAOYSA-N -1 0 221.281 3.011 20 0 BGADRM Cc1cc(C)cc(NCCC(C)(C)C(=O)[O-])c1 ZINC000258621019 635177111 /nfs/dbraw/zinc/17/71/11/635177111.db2.gz JNYJFZAGWXXKOJ-UHFFFAOYSA-N -1 0 235.327 3.216 20 0 BGADRM Cc1cccc(NCCC(C)(C)C(=O)[O-])c1C ZINC000258635168 711738912 /nfs/dbraw/zinc/73/89/12/711738912.db2.gz LAYOIUSNZRWAND-UHFFFAOYSA-N -1 0 235.327 3.216 20 0 BGADRM CCc1ccccc1NCCC(C)(C)C(=O)[O-] ZINC000258635297 631564705 /nfs/dbraw/zinc/56/47/05/631564705.db2.gz LDHJRCWUEJOOOW-UHFFFAOYSA-N -1 0 235.327 3.162 20 0 BGADRM CCc1ccc(NCCC(C)(C)C(=O)[O-])cc1 ZINC000258672180 635185759 /nfs/dbraw/zinc/18/57/59/635185759.db2.gz OPOYVENZDOERGN-UHFFFAOYSA-N -1 0 235.327 3.162 20 0 BGADRM Cc1ccc(NCCC(C)(C)C(=O)[O-])c(C)c1 ZINC000258676226 631580273 /nfs/dbraw/zinc/58/02/73/631580273.db2.gz PAQHWTDLLZFKHS-UHFFFAOYSA-N -1 0 235.327 3.216 20 0 BGADRM Cc1ccc(NCCC(C)(C)C(=O)[O-])cc1C ZINC000258703385 631583270 /nfs/dbraw/zinc/58/32/70/631583270.db2.gz RPMYJMXEWSGDEJ-UHFFFAOYSA-N -1 0 235.327 3.216 20 0 BGADRM Cc1ccc(C)c(NCCC(C)(C)C(=O)[O-])c1 ZINC000258746328 635193964 /nfs/dbraw/zinc/19/39/64/635193964.db2.gz WPXZDPYWMIVSID-UHFFFAOYSA-N -1 0 235.327 3.216 20 0 BGADRM CN(Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000258746902 602663066 /nfs/dbraw/zinc/66/30/66/602663066.db2.gz TVKOLQRPNSLHIH-UHFFFAOYSA-N -1 0 234.082 3.103 20 0 BGADRM CC(C)(CCNc1ccc2c(c1)CCC2)C(=O)[O-] ZINC000258821085 631649789 /nfs/dbraw/zinc/64/97/89/631649789.db2.gz GFBXESDJZMFZGS-UHFFFAOYSA-N -1 0 247.338 3.088 20 0 BGADRM Cc1cc(NCCC(C)(C)C(=O)[O-])ccc1F ZINC000258961476 635230872 /nfs/dbraw/zinc/23/08/72/635230872.db2.gz VZOHXXZQZJWWSG-UHFFFAOYSA-N -1 0 239.290 3.047 20 0 BGADRM CC(C)(C)CCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000261546423 135238559 /nfs/dbraw/zinc/23/85/59/135238559.db2.gz VVTZRZKBIFNHNB-UHFFFAOYSA-N -1 0 249.310 3.150 20 0 BGADRM CCc1cccc(NC2CCC(C(=O)[O-])CC2)c1 ZINC000261582219 535903307 /nfs/dbraw/zinc/90/33/07/535903307.db2.gz RATLEGVQKOXOFX-UHFFFAOYSA-N -1 0 247.338 3.304 20 0 BGADRM CCC(CC)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000262160255 535013307 /nfs/dbraw/zinc/01/33/07/535013307.db2.gz SMCBPXPIKKTOFI-UHFFFAOYSA-N -1 0 249.310 3.150 20 0 BGADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC000262167028 388907871 /nfs/dbraw/zinc/90/78/71/388907871.db2.gz UNZJIXWDCPHCEZ-SECBINFHSA-N -1 0 249.310 3.006 20 0 BGADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC000262167029 388907697 /nfs/dbraw/zinc/90/76/97/388907697.db2.gz UNZJIXWDCPHCEZ-VIFPVBQESA-N -1 0 249.310 3.006 20 0 BGADRM CCN(CCCCC(=O)[O-])c1cccc(C)c1C ZINC000262236462 135285990 /nfs/dbraw/zinc/28/59/90/135285990.db2.gz NFULLWMCKDDZML-UHFFFAOYSA-N -1 0 249.354 3.385 20 0 BGADRM CCCCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000262564682 385860056 /nfs/dbraw/zinc/86/00/56/385860056.db2.gz XOUVULODRZWABB-UHFFFAOYSA-N -1 0 249.310 3.130 20 0 BGADRM CCCCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263204527 534954778 /nfs/dbraw/zinc/95/47/78/534954778.db2.gz KLSBOTXJGNEARA-JTQLQIEISA-N -1 0 249.310 3.003 20 0 BGADRM CCCCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263204528 534955877 /nfs/dbraw/zinc/95/58/77/534955877.db2.gz KLSBOTXJGNEARA-SNVBAGLBSA-N -1 0 249.310 3.003 20 0 BGADRM CC(C)[C@@H](C)Nc1cccc(CCC(=O)[O-])c1 ZINC000263205342 535168380 /nfs/dbraw/zinc/16/83/80/535168380.db2.gz KOVCEBCUTQXMMN-LLVKDONJSA-N -1 0 235.327 3.160 20 0 BGADRM CC(C)[C@H](C)Nc1cccc(CCC(=O)[O-])c1 ZINC000263205344 534972299 /nfs/dbraw/zinc/97/22/99/534972299.db2.gz KOVCEBCUTQXMMN-NSHDSACASA-N -1 0 235.327 3.160 20 0 BGADRM C[C@H](C(=O)Nc1cccc(C(=O)[O-])c1)C(C)(C)C ZINC000263316868 385829314 /nfs/dbraw/zinc/82/93/14/385829314.db2.gz ZGNFRVNJJIVITP-SECBINFHSA-N -1 0 249.310 3.006 20 0 BGADRM C[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1)C(C)(C)C ZINC000263316869 175620804 /nfs/dbraw/zinc/62/08/04/175620804.db2.gz ZGNFRVNJJIVITP-VIFPVBQESA-N -1 0 249.310 3.006 20 0 BGADRM CCCCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263323812 534957722 /nfs/dbraw/zinc/95/77/22/534957722.db2.gz ODIMEZCTYYPNEL-JTQLQIEISA-N -1 0 249.310 3.003 20 0 BGADRM CCCCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263323813 534957147 /nfs/dbraw/zinc/95/71/47/534957147.db2.gz ODIMEZCTYYPNEL-SNVBAGLBSA-N -1 0 249.310 3.003 20 0 BGADRM CC1(C)CC(Nc2cccc(CCC(=O)[O-])c2)C1 ZINC000263462620 135356303 /nfs/dbraw/zinc/35/63/03/135356303.db2.gz CBYXTZOGBUMXKB-UHFFFAOYSA-N -1 0 247.338 3.304 20 0 BGADRM CC[C@H]1CC[C@H]1Nc1cccc(CCC(=O)[O-])c1 ZINC000263486623 536100846 /nfs/dbraw/zinc/10/08/46/536100846.db2.gz HNRWORPUVVVWCZ-GXTWGEPZSA-N -1 0 247.338 3.304 20 0 BGADRM CC[C@H]1CC[C@@H]1Nc1cccc(CCC(=O)[O-])c1 ZINC000263486624 135357081 /nfs/dbraw/zinc/35/70/81/135357081.db2.gz HNRWORPUVVVWCZ-JSGCOSHPSA-N -1 0 247.338 3.304 20 0 BGADRM CC[C@@H]1CC[C@@H]1Nc1cccc(CCC(=O)[O-])c1 ZINC000263486625 135357232 /nfs/dbraw/zinc/35/72/32/135357232.db2.gz HNRWORPUVVVWCZ-OCCSQVGLSA-N -1 0 247.338 3.304 20 0 BGADRM CC[C@@H]1CC[C@H]1Nc1cccc(CCC(=O)[O-])c1 ZINC000263486626 535824967 /nfs/dbraw/zinc/82/49/67/535824967.db2.gz HNRWORPUVVVWCZ-TZMCWYRMSA-N -1 0 247.338 3.304 20 0 BGADRM CC(C)(C)CNc1cccc(CCC(=O)[O-])c1 ZINC000263508729 636667444 /nfs/dbraw/zinc/66/74/44/636667444.db2.gz MUGXLQUQYPGLLD-UHFFFAOYSA-N -1 0 235.327 3.162 20 0 BGADRM C[C@@H]1CCC[C@H]1Nc1cccc(CCC(=O)[O-])c1 ZINC000263512852 136374861 /nfs/dbraw/zinc/37/48/61/136374861.db2.gz NYYUUIBENBCOAE-BXUZGUMPSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@H]1CCC[C@@H]1Nc1cccc(CCC(=O)[O-])c1 ZINC000263512856 136374870 /nfs/dbraw/zinc/37/48/70/136374870.db2.gz NYYUUIBENBCOAE-FZMZJTMJSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@@H]1CCC[C@@H]1Nc1cccc(CCC(=O)[O-])c1 ZINC000263512859 136374884 /nfs/dbraw/zinc/37/48/84/136374884.db2.gz NYYUUIBENBCOAE-RISCZKNCSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@H]1CCC[C@H]1Nc1cccc(CCC(=O)[O-])c1 ZINC000263512862 136374844 /nfs/dbraw/zinc/37/48/44/136374844.db2.gz NYYUUIBENBCOAE-SMDDNHRTSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@@H]1CC[C@@H](Nc2cccc(CCC(=O)[O-])c2)C1 ZINC000263522689 135357921 /nfs/dbraw/zinc/35/79/21/135357921.db2.gz RUNOEVMCWNRTGZ-BXUZGUMPSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@H]1CC[C@H](Nc2cccc(CCC(=O)[O-])c2)C1 ZINC000263522691 135358336 /nfs/dbraw/zinc/35/83/36/135358336.db2.gz RUNOEVMCWNRTGZ-FZMZJTMJSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@@H]1CC[C@H](Nc2cccc(CCC(=O)[O-])c2)C1 ZINC000263522692 135358134 /nfs/dbraw/zinc/35/81/34/135358134.db2.gz RUNOEVMCWNRTGZ-RISCZKNCSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@H]1CC[C@@H](Nc2cccc(CCC(=O)[O-])c2)C1 ZINC000263522693 135358341 /nfs/dbraw/zinc/35/83/41/135358341.db2.gz RUNOEVMCWNRTGZ-SMDDNHRTSA-N -1 0 247.338 3.304 20 0 BGADRM CC[C@@H](C)CNc1cccc(CCC(=O)[O-])c1 ZINC000263524128 535526548 /nfs/dbraw/zinc/52/65/48/535526548.db2.gz SMOIOHYMXAJOFN-LLVKDONJSA-N -1 0 235.327 3.162 20 0 BGADRM CC[C@H](C)CNc1cccc(CCC(=O)[O-])c1 ZINC000263524132 135358115 /nfs/dbraw/zinc/35/81/15/135358115.db2.gz SMOIOHYMXAJOFN-NSHDSACASA-N -1 0 235.327 3.162 20 0 BGADRM C[C@@H](Nc1cccc(CCC(=O)[O-])c1)C1CCC1 ZINC000263534176 135359125 /nfs/dbraw/zinc/35/91/25/135359125.db2.gz YGRRCISMAUVEHM-LLVKDONJSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@H](Nc1cccc(CCC(=O)[O-])c1)C1CCC1 ZINC000263534177 135358854 /nfs/dbraw/zinc/35/88/54/135358854.db2.gz YGRRCISMAUVEHM-NSHDSACASA-N -1 0 247.338 3.304 20 0 BGADRM Cc1ccc(C(=O)N(C)CC(C)(C)C)c(O)c1C ZINC000263791499 178376841 /nfs/dbraw/zinc/37/68/41/178376841.db2.gz QTUXENRWSCXSBA-UHFFFAOYSA-N -1 0 249.354 3.127 20 0 BGADRM CC(C)(C)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000264396715 188370519 /nfs/dbraw/zinc/37/05/19/188370519.db2.gz VAZWHQDPLAAXPF-CYBMUJFWSA-N -1 0 247.338 3.043 20 0 BGADRM C/C(=C/c1nc(-c2ccc(O)cc2)no1)C1CC1 ZINC000264596162 187332130 /nfs/dbraw/zinc/33/21/30/187332130.db2.gz GRMOGNFEXXYYMQ-HJWRWDBZSA-N -1 0 242.278 3.256 20 0 BGADRM CC(C)(C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000265156242 386313667 /nfs/dbraw/zinc/31/36/67/386313667.db2.gz HYSMVBYQVWQCBF-UHFFFAOYSA-N -1 0 227.691 3.030 20 0 BGADRM O=C(Nc1cccc(Cl)c1[O-])C1CCCC1 ZINC000265180927 182369728 /nfs/dbraw/zinc/36/97/28/182369728.db2.gz RGKLSSMBNHEGMQ-UHFFFAOYSA-N -1 0 239.702 3.174 20 0 BGADRM CC(C)CC(=O)Nc1cccc(Cl)c1[O-] ZINC000265185708 386315761 /nfs/dbraw/zinc/31/57/61/386315761.db2.gz SLEFIPAYCDIALB-UHFFFAOYSA-N -1 0 227.691 3.030 20 0 BGADRM O=C(CCC1CC1)Nc1cccc(Cl)c1[O-] ZINC000265488232 386344649 /nfs/dbraw/zinc/34/46/49/386344649.db2.gz AOLDNIDKLFKQDM-UHFFFAOYSA-N -1 0 239.702 3.174 20 0 BGADRM CCC1(C(=O)Nc2cccc(Cl)c2[O-])CC1 ZINC000267405052 386540701 /nfs/dbraw/zinc/54/07/01/386540701.db2.gz SZOZCPXMQGMVDJ-UHFFFAOYSA-N -1 0 239.702 3.174 20 0 BGADRM CC1(C(=O)Nc2cc(Cl)ccc2O)CCC1 ZINC000267436784 386542500 /nfs/dbraw/zinc/54/25/00/386542500.db2.gz BLHMFWFFBUNZHC-UHFFFAOYSA-N -1 0 239.702 3.174 20 0 BGADRM CC1(C(=O)Nc2cccc(Cl)c2[O-])CCC1 ZINC000267448939 397948282 /nfs/dbraw/zinc/94/82/82/397948282.db2.gz DUYHTCZKODUHKL-UHFFFAOYSA-N -1 0 239.702 3.174 20 0 BGADRM CC(C)CON=c1[n-]c(C(F)(F)F)cs1 ZINC000271081822 188375674 /nfs/dbraw/zinc/37/56/74/188375674.db2.gz YOBBEVRFKOQGCY-UHFFFAOYSA-N -1 0 240.250 3.161 20 0 BGADRM Cc1ccc(C)c(NC(=O)NOC2CCCC2)c1 ZINC000271641733 385844606 /nfs/dbraw/zinc/84/46/06/385844606.db2.gz BBQBJXBBCCOODH-UHFFFAOYSA-N -1 0 248.326 3.299 20 0 BGADRM CCc1ccccc1NC(=O)NOC1CCCC1 ZINC000271779022 397974496 /nfs/dbraw/zinc/97/44/96/397974496.db2.gz HFINVJLSUVPMMW-UHFFFAOYSA-N -1 0 248.326 3.245 20 0 BGADRM Cc1cscc1NC(=O)NOC1CCCC1 ZINC000271779465 397974893 /nfs/dbraw/zinc/97/48/93/397974893.db2.gz FSWOTNRWKAVWTO-UHFFFAOYSA-N -1 0 240.328 3.052 20 0 BGADRM CCC[C@@H]1CCCN(C(=O)c2cccc(O)c2)C1 ZINC000272795147 385935666 /nfs/dbraw/zinc/93/56/66/385935666.db2.gz XNWOJMHVQGMCOS-GFCCVEGCSA-N -1 0 247.338 3.045 20 0 BGADRM CCC[C@H]1CCCN(C(=O)c2cccc(O)c2)C1 ZINC000272795149 385934718 /nfs/dbraw/zinc/93/47/18/385934718.db2.gz XNWOJMHVQGMCOS-LBPRGKRZSA-N -1 0 247.338 3.045 20 0 BGADRM CC(C)N(Cc1cc(O)cc(F)c1)CC(F)F ZINC000274465646 389046406 /nfs/dbraw/zinc/04/64/06/389046406.db2.gz ILVVJZQNBAPSTB-UHFFFAOYSA-N -1 0 247.260 3.007 20 0 BGADRM CC(C)(C)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000274650764 386136081 /nfs/dbraw/zinc/13/60/81/386136081.db2.gz FAAALOITYSGRGW-UHFFFAOYSA-N -1 0 245.681 3.169 20 0 BGADRM CC(C)CC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000274654207 386137258 /nfs/dbraw/zinc/13/72/58/386137258.db2.gz FJIMQHQZZBFKTL-UHFFFAOYSA-N -1 0 245.681 3.169 20 0 BGADRM CCCCC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000274681932 386138139 /nfs/dbraw/zinc/13/81/39/386138139.db2.gz JZVCLFCCMUTUDT-UHFFFAOYSA-N -1 0 245.681 3.313 20 0 BGADRM CC[C@H](C)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000274768919 171254366 /nfs/dbraw/zinc/25/43/66/171254366.db2.gz ZQKRENGVGHMOPU-LURJTMIESA-N -1 0 245.681 3.169 20 0 BGADRM CC[C@@H](C)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000274768921 386146733 /nfs/dbraw/zinc/14/67/33/386146733.db2.gz ZQKRENGVGHMOPU-ZCFIWIBFSA-N -1 0 245.681 3.169 20 0 BGADRM O=C(C[C@@H]1C=CCCC1)Nc1ccc(F)cc1O ZINC000275285740 182016499 /nfs/dbraw/zinc/01/64/99/182016499.db2.gz FRQCKDVSPZXSEH-SNVBAGLBSA-N -1 0 249.285 3.216 20 0 BGADRM CC(C)N(CC1CCC1)C(=O)c1cccc(O)c1 ZINC000278102590 187341277 /nfs/dbraw/zinc/34/12/77/187341277.db2.gz KKQFWQSGRDQDQP-UHFFFAOYSA-N -1 0 247.338 3.043 20 0 BGADRM CC1(C)C[C@H]1c1nc(-c2ccc(O)cc2F)no1 ZINC000278114316 187340687 /nfs/dbraw/zinc/34/06/87/187340687.db2.gz IYKJJWHYKJVPHB-VIFPVBQESA-N -1 0 248.257 3.095 20 0 BGADRM CC(C)c1nc(-c2ccc(O)cc2Cl)no1 ZINC000278229726 187341449 /nfs/dbraw/zinc/34/14/49/187341449.db2.gz RNIMLLDOHGVRSW-UHFFFAOYSA-N -1 0 238.674 3.219 20 0 BGADRM CC[C@H](C)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000286689007 171254976 /nfs/dbraw/zinc/25/49/76/171254976.db2.gz IKIKNCJSPWTLQJ-LURJTMIESA-N -1 0 245.681 3.169 20 0 BGADRM CC[C@@H](C)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000286689009 386067138 /nfs/dbraw/zinc/06/71/38/386067138.db2.gz IKIKNCJSPWTLQJ-ZCFIWIBFSA-N -1 0 245.681 3.169 20 0 BGADRM CC(C)=CCSc1nc(C(F)F)cc(=O)[nH]1 ZINC000289556021 188210904 /nfs/dbraw/zinc/21/09/04/188210904.db2.gz PDSCRIQWNZJAMF-UHFFFAOYSA-N -1 0 246.282 3.178 20 0 BGADRM CC[C@H](C)CONC(=O)Nc1cccc(C)c1 ZINC000291795101 171289311 /nfs/dbraw/zinc/28/93/11/171289311.db2.gz PETFDNWUMYUMIF-JTQLQIEISA-N -1 0 236.315 3.094 20 0 BGADRM CC1(C)CCCC[C@@H]1C(=O)NOC/C=C/Cl ZINC000291928768 386602721 /nfs/dbraw/zinc/60/27/21/386602721.db2.gz UZCSCKANVKJQJE-VHODGJRUSA-N -1 0 245.750 3.003 20 0 BGADRM CC1(C)CCCC[C@H]1C(=O)NOC/C=C/Cl ZINC000291928772 386601497 /nfs/dbraw/zinc/60/14/97/386601497.db2.gz UZCSCKANVKJQJE-YVFTVSHDSA-N -1 0 245.750 3.003 20 0 BGADRM CC[C@H](C)CONC(=O)Nc1ccc(C)cc1 ZINC000291951497 171289466 /nfs/dbraw/zinc/28/94/66/171289466.db2.gz VKWDATZGXYNBQF-JTQLQIEISA-N -1 0 236.315 3.094 20 0 BGADRM CC1(C)CC[C@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000292918140 188268427 /nfs/dbraw/zinc/26/84/27/188268427.db2.gz HXWPUISIHIPESE-LLVKDONJSA-N -1 0 239.746 3.324 20 0 BGADRM CC(C)C1([NH2+]Cc2cccc(O)c2Cl)CC1 ZINC000292980893 387344432 /nfs/dbraw/zinc/34/44/32/387344432.db2.gz LFCZRJXECFPWOK-UHFFFAOYSA-N -1 0 239.746 3.324 20 0 BGADRM CCC1([NH2+]Cc2cccc(O)c2Cl)CCC1 ZINC000293485491 388388891 /nfs/dbraw/zinc/38/88/91/388388891.db2.gz GEGSLTCUGMCPET-UHFFFAOYSA-N -1 0 239.746 3.468 20 0 BGADRM CC[C@H](CC(=O)NOCC1CC1)c1ccccc1 ZINC000293807664 386881113 /nfs/dbraw/zinc/88/11/13/386881113.db2.gz QESJHBIWSORVEB-CYBMUJFWSA-N -1 0 247.338 3.028 20 0 BGADRM CC[C@@H](CC(=O)NOCC1CC1)c1ccccc1 ZINC000293807668 386882844 /nfs/dbraw/zinc/88/28/44/386882844.db2.gz QESJHBIWSORVEB-ZDUSSCGKSA-N -1 0 247.338 3.028 20 0 BGADRM CC(F)(F)CC[NH2+]Cc1cccc(O)c1Cl ZINC000294238050 388390304 /nfs/dbraw/zinc/39/03/04/388390304.db2.gz OXCPOBWBGHJESE-UHFFFAOYSA-N -1 0 249.688 3.181 20 0 BGADRM CC[C@@H]1CCC[C@H]1C(=O)Nc1c(C)cccc1O ZINC000294934395 352389338 /nfs/dbraw/zinc/38/93/38/352389338.db2.gz KWXHIFCEGZLSEO-VXGBXAGGSA-N -1 0 247.338 3.465 20 0 BGADRM CC/C=C/C[NH2+]Cc1cccc(O)c1Cl ZINC000295003820 388406582 /nfs/dbraw/zinc/40/65/82/388406582.db2.gz LOYQTEYDSFYRSN-ONEGZZNKSA-N -1 0 225.719 3.101 20 0 BGADRM CCC[C@@H](C(=O)[N-]OC(C)C)c1ccccc1 ZINC000295442173 169345080 /nfs/dbraw/zinc/34/50/80/169345080.db2.gz ADRQJZGCVAQWEZ-CYBMUJFWSA-N -1 0 235.327 3.027 20 0 BGADRM CCC[C@H](C(=O)[N-]OC(C)C)c1ccccc1 ZINC000295442175 398133794 /nfs/dbraw/zinc/13/37/94/398133794.db2.gz ADRQJZGCVAQWEZ-ZDUSSCGKSA-N -1 0 235.327 3.027 20 0 BGADRM Cc1c(Cl)cccc1NC(=O)NOC(C)C ZINC000296066885 386132271 /nfs/dbraw/zinc/13/22/71/386132271.db2.gz CLKNTFBPARNSOW-UHFFFAOYSA-N -1 0 242.706 3.110 20 0 BGADRM CC(C)ONC(=O)Nc1ccccc1C(C)C ZINC000296190226 167276257 /nfs/dbraw/zinc/27/62/57/167276257.db2.gz MQZFXTLMKIVQFL-UHFFFAOYSA-N -1 0 236.315 3.272 20 0 BGADRM CC(C)ONC(=O)Nc1cccc(C(C)C)c1 ZINC000296271633 167276666 /nfs/dbraw/zinc/27/66/66/167276666.db2.gz MILSKYDIEJZLIN-UHFFFAOYSA-N -1 0 236.315 3.272 20 0 BGADRM CC(C)ONC(=O)Nc1cccc(C(F)F)c1 ZINC000296287597 167276283 /nfs/dbraw/zinc/27/62/83/167276283.db2.gz DITUXBYDBGNNPL-UHFFFAOYSA-N -1 0 244.241 3.086 20 0 BGADRM CC(C)ONC(=O)Nc1ccc(C(C)C)cc1 ZINC000296357827 167276679 /nfs/dbraw/zinc/27/66/79/167276679.db2.gz QIXCKTBQXFHGHI-UHFFFAOYSA-N -1 0 236.315 3.272 20 0 BGADRM CC(C)ONC(=O)Nc1ccc2c(c1)CCCC2 ZINC000297427296 167275753 /nfs/dbraw/zinc/27/57/53/167275753.db2.gz OOWZFMAOUJSHAA-UHFFFAOYSA-N -1 0 248.326 3.027 20 0 BGADRM CC(C)ONC(=O)Nc1cccc2c1CCCC2 ZINC000297442845 167277390 /nfs/dbraw/zinc/27/73/90/167277390.db2.gz LOMREZVYAPOYII-UHFFFAOYSA-N -1 0 248.326 3.027 20 0 BGADRM CC(C)ONC(=O)Nc1cccc(C2CCC2)c1 ZINC000297555295 167275944 /nfs/dbraw/zinc/27/59/44/167275944.db2.gz ZONVRGCBRCHZBD-UHFFFAOYSA-N -1 0 248.326 3.416 20 0 BGADRM CCCC[C@H](Nc1cccc(F)c1C)C(=O)[O-] ZINC000300017574 592500129 /nfs/dbraw/zinc/50/01/29/592500129.db2.gz CKRUGPPHEMVNRH-LBPRGKRZSA-N -1 0 239.290 3.189 20 0 BGADRM CCCC[C@H](SC[C@@H](C)CC)C(=O)[O-] ZINC000300341086 592507054 /nfs/dbraw/zinc/50/70/54/592507054.db2.gz ZZXNLNXSNAYNGL-UWVGGRQHSA-N -1 0 218.362 3.409 20 0 BGADRM CCCC[C@H](SC[C@H](C)CC)C(=O)[O-] ZINC000300341087 592506770 /nfs/dbraw/zinc/50/67/70/592506770.db2.gz ZZXNLNXSNAYNGL-ZJUUUORDSA-N -1 0 218.362 3.409 20 0 BGADRM C[C@@H]1CCC[C@H](CNc2cccc(C(=O)[O-])n2)C1 ZINC000300677998 592517320 /nfs/dbraw/zinc/51/73/20/592517320.db2.gz BRQZAJBTEQNLFX-MNOVXSKESA-N -1 0 248.326 3.018 20 0 BGADRM C[C@@H](CSCCC1CCCCC1)C(=O)[O-] ZINC000300723036 582570479 /nfs/dbraw/zinc/57/04/79/582570479.db2.gz CIRAXJZFJVYVHU-JTQLQIEISA-N -1 0 230.373 3.411 20 0 BGADRM C[C@H](CSCCC1CCCCC1)C(=O)[O-] ZINC000300723037 582570390 /nfs/dbraw/zinc/57/03/90/582570390.db2.gz CIRAXJZFJVYVHU-SNVBAGLBSA-N -1 0 230.373 3.411 20 0 BGADRM C[C@H](CSCCC1CCCC1)C(=O)[O-] ZINC000300725167 592518704 /nfs/dbraw/zinc/51/87/04/592518704.db2.gz CYQFVBKOGTXOOY-SECBINFHSA-N -1 0 216.346 3.021 20 0 BGADRM C[C@@H](CSCCC1CCCC1)C(=O)[O-] ZINC000300725168 592518426 /nfs/dbraw/zinc/51/84/26/592518426.db2.gz CYQFVBKOGTXOOY-VIFPVBQESA-N -1 0 216.346 3.021 20 0 BGADRM C[C@H](CC(=O)[O-])SCCC1CCCC1 ZINC000300785443 585642530 /nfs/dbraw/zinc/64/25/30/585642530.db2.gz SEGIBTRTUDNHSX-SECBINFHSA-N -1 0 216.346 3.163 20 0 BGADRM C[C@@H](CC(=O)[O-])SCCC1CCCC1 ZINC000300785445 582581560 /nfs/dbraw/zinc/58/15/60/582581560.db2.gz SEGIBTRTUDNHSX-VIFPVBQESA-N -1 0 216.346 3.163 20 0 BGADRM C[C@@H](SCCC1CCCCC1)C(=O)[O-] ZINC000300814636 592521362 /nfs/dbraw/zinc/52/13/62/592521362.db2.gz YCYSKTVJFUJZIY-SECBINFHSA-N -1 0 216.346 3.163 20 0 BGADRM C[C@H](SCCC1CCCCC1)C(=O)[O-] ZINC000300814637 582589498 /nfs/dbraw/zinc/58/94/98/582589498.db2.gz YCYSKTVJFUJZIY-VIFPVBQESA-N -1 0 216.346 3.163 20 0 BGADRM C/C(=C/CN1CC[C@@H](C)c2ccccc21)C(=O)[O-] ZINC000302635073 592550324 /nfs/dbraw/zinc/55/03/24/592550324.db2.gz RLPNIYMZYPDTKE-HQQGHWSLSA-N -1 0 245.322 3.031 20 0 BGADRM C/C(=C/CN1CC[C@H](C)c2ccccc21)C(=O)[O-] ZINC000302635074 592550229 /nfs/dbraw/zinc/55/02/29/592550229.db2.gz RLPNIYMZYPDTKE-LCFDYFRESA-N -1 0 245.322 3.031 20 0 BGADRM CC(C)(C)CCCC(=O)NOCc1ccccc1 ZINC000303193435 644809140 /nfs/dbraw/zinc/80/91/40/644809140.db2.gz KIAXZYFXGYZSTI-UHFFFAOYSA-N -1 0 249.354 3.451 20 0 BGADRM CC(C)C[C@@H](C)Nc1cccc(CC(=O)[O-])c1 ZINC000304560624 605308319 /nfs/dbraw/zinc/30/83/19/605308319.db2.gz VTQUVLHLMOOEKF-LLVKDONJSA-N -1 0 235.327 3.160 20 0 BGADRM CC(C)C[C@H](C)Nc1cccc(CC(=O)[O-])c1 ZINC000304560625 605307899 /nfs/dbraw/zinc/30/78/99/605307899.db2.gz VTQUVLHLMOOEKF-NSHDSACASA-N -1 0 235.327 3.160 20 0 BGADRM Cc1ccsc1-c1cc(C(=O)[O-])co1 ZINC000306498901 384065857 /nfs/dbraw/zinc/06/58/57/384065857.db2.gz VBSQQQXAIUZTAR-UHFFFAOYSA-N -1 0 208.238 3.015 20 0 BGADRM Cc1cc(-c2cc(C(=O)[O-])co2)cs1 ZINC000306582015 323031778 /nfs/dbraw/zinc/03/17/78/323031778.db2.gz CPVLLOQPOATLBT-UHFFFAOYSA-N -1 0 208.238 3.015 20 0 BGADRM O=C([O-])c1coc(-c2ccc(Cl)s2)c1 ZINC000306806596 643253724 /nfs/dbraw/zinc/25/37/24/643253724.db2.gz KFKAOOYHWCRWPN-UHFFFAOYSA-N -1 0 228.656 3.360 20 0 BGADRM O=C([O-])c1coc(-c2cccc(Cl)c2)c1 ZINC000307067786 323170187 /nfs/dbraw/zinc/17/01/87/323170187.db2.gz LNCJNBSYZPOHID-UHFFFAOYSA-N -1 0 222.627 3.298 20 0 BGADRM O=C([O-])c1cc(-c2cscn2)ccc1Cl ZINC000307480024 635988501 /nfs/dbraw/zinc/98/85/01/635988501.db2.gz GDVQJFDOUWEQBZ-UHFFFAOYSA-N -1 0 239.683 3.162 20 0 BGADRM Cc1cc(-c2nc(C)c(C(=O)[O-])s2)cs1 ZINC000307585666 345832669 /nfs/dbraw/zinc/83/26/69/345832669.db2.gz MOXLIBFUFDIKJN-UHFFFAOYSA-N -1 0 239.321 3.187 20 0 BGADRM Cc1cc(-c2nc(C(=O)[O-])c(C)s2)cs1 ZINC000307596464 386749478 /nfs/dbraw/zinc/74/94/78/386749478.db2.gz MKLYIUMRWABMPA-UHFFFAOYSA-N -1 0 239.321 3.187 20 0 BGADRM CCc1ccc(-n2[n-]c3c(c2=O)CCCC3)cc1 ZINC000307988134 385608062 /nfs/dbraw/zinc/60/80/62/385608062.db2.gz SACJQGJWRABEJC-CYBMUJFWSA-N -1 0 242.322 3.142 20 0 BGADRM CC(C)CCCSCCCC(=O)[O-] ZINC000308320614 605207833 /nfs/dbraw/zinc/20/78/33/605207833.db2.gz AXAZYCTZYLNUCJ-UHFFFAOYSA-N -1 0 204.335 3.021 20 0 BGADRM C[C@@H](S[C@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC000308831338 600985132 /nfs/dbraw/zinc/98/51/32/600985132.db2.gz GGRNDLVJWIXNEM-HTQZYQBOSA-N -1 0 228.288 3.093 20 0 BGADRM C[C@@H](S[C@@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC000308831341 600985355 /nfs/dbraw/zinc/98/53/55/600985355.db2.gz GGRNDLVJWIXNEM-JGVFFNPUSA-N -1 0 228.288 3.093 20 0 BGADRM C[C@@H](S[C@@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000308831343 600985371 /nfs/dbraw/zinc/98/53/71/600985371.db2.gz GGRNDLVJWIXNEM-SFYZADRCSA-N -1 0 228.288 3.093 20 0 BGADRM C[C@H](S[C@@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC000308831346 600985391 /nfs/dbraw/zinc/98/53/91/600985391.db2.gz GGRNDLVJWIXNEM-YUMQZZPRSA-N -1 0 228.288 3.093 20 0 BGADRM Cc1cc(=O)n([C@H](C)c2ccc(Cl)cc2)[n-]1 ZINC000309152026 385990483 /nfs/dbraw/zinc/99/04/83/385990483.db2.gz JEWLFUQDWWVXNL-SECBINFHSA-N -1 0 236.702 3.009 20 0 BGADRM Cc1cc(=O)n([C@@H](C)c2ccc(Cl)cc2)[n-]1 ZINC000309152027 385991109 /nfs/dbraw/zinc/99/11/09/385991109.db2.gz JEWLFUQDWWVXNL-VIFPVBQESA-N -1 0 236.702 3.009 20 0 BGADRM Cc1ccc(C)c(CSCCCC(=O)[O-])c1 ZINC000309194655 600032778 /nfs/dbraw/zinc/03/27/78/600032778.db2.gz ABAAKRLUXZPHFC-UHFFFAOYSA-N -1 0 238.352 3.401 20 0 BGADRM O=C([O-])CCCSCCCc1ccccc1 ZINC000309461444 600188178 /nfs/dbraw/zinc/18/81/78/600188178.db2.gz QYPVVYDUZGIYFD-UHFFFAOYSA-N -1 0 238.352 3.217 20 0 BGADRM C[C@@H](S[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000309666708 597052145 /nfs/dbraw/zinc/05/21/45/597052145.db2.gz IHGMKYMVABWJPV-BXKDBHETSA-N -1 0 236.336 3.270 20 0 BGADRM C[C@H](S[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000309666709 597052258 /nfs/dbraw/zinc/05/22/58/597052258.db2.gz IHGMKYMVABWJPV-CABZTGNLSA-N -1 0 236.336 3.270 20 0 BGADRM C[C@H](S[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000309666710 597052080 /nfs/dbraw/zinc/05/20/80/597052080.db2.gz IHGMKYMVABWJPV-JOYOIKCWSA-N -1 0 236.336 3.270 20 0 BGADRM C[C@@H](S[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000309666711 597052340 /nfs/dbraw/zinc/05/23/40/597052340.db2.gz IHGMKYMVABWJPV-SKDRFNHKSA-N -1 0 236.336 3.270 20 0 BGADRM O=C([O-])c1cnc(/C=C\c2ccccc2)s1 ZINC000309693793 385794167 /nfs/dbraw/zinc/79/41/67/385794167.db2.gz QQRXMSBTODZEBY-SREVYHEPSA-N -1 0 231.276 3.012 20 0 BGADRM O=C([O-])c1cnc(/C=C/c2ccccc2)s1 ZINC000309693794 385794578 /nfs/dbraw/zinc/79/45/78/385794578.db2.gz QQRXMSBTODZEBY-VOTSOKGWSA-N -1 0 231.276 3.012 20 0 BGADRM O=C([O-])c1ccnc(/C=C/c2ccsc2)c1 ZINC000309708746 384553154 /nfs/dbraw/zinc/55/31/54/384553154.db2.gz WGVJNTQOSCBGOH-OWOJBTEDSA-N -1 0 231.276 3.012 20 0 BGADRM O=C([O-])c1ccnc(/C=C\c2ccsc2)c1 ZINC000309708747 384552791 /nfs/dbraw/zinc/55/27/91/384552791.db2.gz WGVJNTQOSCBGOH-UPHRSURJSA-N -1 0 231.276 3.012 20 0 BGADRM O=C([O-])c1ccnc(/C=C\c2cccs2)c1 ZINC000309717170 182584481 /nfs/dbraw/zinc/58/44/81/182584481.db2.gz ZGHWCZGXURCBJJ-ARJAWSKDSA-N -1 0 231.276 3.012 20 0 BGADRM O=C([O-])c1ccnc(/C=C/c2cccs2)c1 ZINC000309717175 182584970 /nfs/dbraw/zinc/58/49/70/182584970.db2.gz ZGHWCZGXURCBJJ-ONEGZZNKSA-N -1 0 231.276 3.012 20 0 BGADRM CC(C)(C)CCC(=O)Nc1ccccc1C(=O)[O-] ZINC000310576113 491162047 /nfs/dbraw/zinc/16/20/47/491162047.db2.gz CILMPBAPPBCPIH-UHFFFAOYSA-N -1 0 249.310 3.150 20 0 BGADRM C/C(=C\CN1CC[C@@H](C)c2ccccc21)C(=O)[O-] ZINC000310637303 601155908 /nfs/dbraw/zinc/15/59/08/601155908.db2.gz RLPNIYMZYPDTKE-OYGDSYQHSA-N -1 0 245.322 3.031 20 0 BGADRM C/C(=C\CN1CC[C@H](C)c2ccccc21)C(=O)[O-] ZINC000310637306 601156142 /nfs/dbraw/zinc/15/61/42/601156142.db2.gz RLPNIYMZYPDTKE-SERMCNLOSA-N -1 0 245.322 3.031 20 0 BGADRM Cc1cc(-c2cc(C(=O)[O-])c(C)cc2C)sn1 ZINC000311665535 641361255 /nfs/dbraw/zinc/36/12/55/641361255.db2.gz HOFPMSKDOALXDA-UHFFFAOYSA-N -1 0 247.319 3.434 20 0 BGADRM Cc1cc(-c2ccc(C)c(C(=O)[O-])c2)sn1 ZINC000311679656 633151364 /nfs/dbraw/zinc/15/13/64/633151364.db2.gz LUUMYTGVJWHUJC-UHFFFAOYSA-N -1 0 233.292 3.125 20 0 BGADRM Cc1cc(-c2cccc(C(=O)[O-])c2C)sn1 ZINC000311712850 635206192 /nfs/dbraw/zinc/20/61/92/635206192.db2.gz WCWDVBODTXACGA-UHFFFAOYSA-N -1 0 233.292 3.125 20 0 BGADRM Cc1cc(-c2cc(C)cc(C(=O)[O-])c2)sn1 ZINC000312042874 633897175 /nfs/dbraw/zinc/89/71/75/633897175.db2.gz SITHUKIZEBFOJV-UHFFFAOYSA-N -1 0 233.292 3.125 20 0 BGADRM Cc1cc(-c2cccc(C)c2C(=O)[O-])sn1 ZINC000312053404 633895971 /nfs/dbraw/zinc/89/59/71/633895971.db2.gz XWIPKFCAFYEIMO-UHFFFAOYSA-N -1 0 233.292 3.125 20 0 BGADRM COc1cc(F)cc(-c2ccccc2C(=O)[O-])c1 ZINC000312427727 326240060 /nfs/dbraw/zinc/24/00/60/326240060.db2.gz QXPUXUXPXBMZKE-UHFFFAOYSA-N -1 0 246.237 3.200 20 0 BGADRM CC(C)(C)CCCNc1cccc(C(=O)[O-])n1 ZINC000313250269 604714088 /nfs/dbraw/zinc/71/40/88/604714088.db2.gz XLBLUCDPHCFKDA-UHFFFAOYSA-N -1 0 236.315 3.018 20 0 BGADRM CC(C)[C@@H](C)Nc1ccc(CCC(=O)[O-])cc1 ZINC000318747372 641601752 /nfs/dbraw/zinc/60/17/52/641601752.db2.gz BILBUQYONGHYEO-LLVKDONJSA-N -1 0 235.327 3.160 20 0 BGADRM CC[C@@H](C)[C@@H](C)Nc1cccc(CC(=O)[O-])c1 ZINC000319441213 259393841 /nfs/dbraw/zinc/39/38/41/259393841.db2.gz YMAKGRRPETZJQY-GHMZBOCLSA-N -1 0 235.327 3.160 20 0 BGADRM CC[C@@H](C)[C@H](C)Nc1cccc(CC(=O)[O-])c1 ZINC000319441215 259394067 /nfs/dbraw/zinc/39/40/67/259394067.db2.gz YMAKGRRPETZJQY-MNOVXSKESA-N -1 0 235.327 3.160 20 0 BGADRM CC[C@H](C)[C@H](C)Nc1cccc(CC(=O)[O-])c1 ZINC000319441217 259393932 /nfs/dbraw/zinc/39/39/32/259393932.db2.gz YMAKGRRPETZJQY-QWRGUYRKSA-N -1 0 235.327 3.160 20 0 BGADRM CC[C@H](C)[C@@H](C)Nc1cccc(CC(=O)[O-])c1 ZINC000319441218 259394104 /nfs/dbraw/zinc/39/41/04/259394104.db2.gz YMAKGRRPETZJQY-WDEREUQCSA-N -1 0 235.327 3.160 20 0 BGADRM Cc1n[n-]c(=NC2CCC3(CCCCC3)CC2)o1 ZINC000329217599 386633264 /nfs/dbraw/zinc/63/32/64/386633264.db2.gz QLHRDBFLACTTIQ-UHFFFAOYSA-N -1 0 249.358 3.105 20 0 BGADRM CCCC1CCC(N=c2[n-]nc(C3CC3)o2)CC1 ZINC000329374688 386659514 /nfs/dbraw/zinc/65/95/14/386659514.db2.gz LECVLIGMTDCQCQ-UHFFFAOYSA-N -1 0 249.358 3.140 20 0 BGADRM O=C([O-])c1cnc(/C=C/c2ccsc2)s1 ZINC000334155642 384357100 /nfs/dbraw/zinc/35/71/00/384357100.db2.gz VWPAKORONILXNZ-OWOJBTEDSA-N -1 0 237.305 3.073 20 0 BGADRM Cc1ccc(C(=O)N(C)C2(C)CCCC2)c(O)c1 ZINC000334206589 352801781 /nfs/dbraw/zinc/80/17/81/352801781.db2.gz ZSSFXIVTPAFIMQ-UHFFFAOYSA-N -1 0 247.338 3.105 20 0 BGADRM Oc1ccc(-c2noc(C3(F)CCCC3)n2)cc1 ZINC000334242258 352830306 /nfs/dbraw/zinc/83/03/06/352830306.db2.gz QHLHMGSZYBNCNS-UHFFFAOYSA-N -1 0 248.257 3.181 20 0 BGADRM Cc1cscc1NC(=O)c1ccc(O)c(C)c1 ZINC000334304429 384430392 /nfs/dbraw/zinc/43/03/92/384430392.db2.gz BYYYJGZGUJBGJU-UHFFFAOYSA-N -1 0 247.319 3.323 20 0 BGADRM CC1=C(C(=O)Nc2c(C)cccc2O)CCC1 ZINC000334369143 135373172 /nfs/dbraw/zinc/37/31/72/135373172.db2.gz MXNRHAOQFVAHOL-UHFFFAOYSA-N -1 0 231.295 3.140 20 0 BGADRM Cc1cccc(O)c1NC(=O)[C@@H]1CC[C@H](C)C1 ZINC000334376869 135378151 /nfs/dbraw/zinc/37/81/51/135378151.db2.gz FKQDDWCIGNOPBO-GXSJLCMTSA-N -1 0 233.311 3.075 20 0 BGADRM Cc1cccc(O)c1NC(=O)[C@H]1CC[C@@H](C)C1 ZINC000334376871 135377766 /nfs/dbraw/zinc/37/77/66/135377766.db2.gz FKQDDWCIGNOPBO-KOLCDFICSA-N -1 0 233.311 3.075 20 0 BGADRM Cc1cccc(O)c1NC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000334376874 135378303 /nfs/dbraw/zinc/37/83/03/135378303.db2.gz FKQDDWCIGNOPBO-MWLCHTKSSA-N -1 0 233.311 3.075 20 0 BGADRM Cc1cccc(O)c1NC(=O)[C@H]1CC[C@H](C)C1 ZINC000334376876 135378297 /nfs/dbraw/zinc/37/82/97/135378297.db2.gz FKQDDWCIGNOPBO-ONGXEEELSA-N -1 0 233.311 3.075 20 0 BGADRM O=C([O-])c1cnc(/C=C/c2cccs2)s1 ZINC000335608475 384385008 /nfs/dbraw/zinc/38/50/08/384385008.db2.gz PVDHYTSZDFAKOK-ONEGZZNKSA-N -1 0 237.305 3.073 20 0 BGADRM C[C@H]1C[C@H]1c1noc(/C=C/c2cccc(O)c2)n1 ZINC000335767591 386909651 /nfs/dbraw/zinc/90/96/51/386909651.db2.gz YJURUKDQOOBDJJ-FSRQASEOSA-N -1 0 242.278 3.069 20 0 BGADRM C[C@@H]1C[C@@H]1c1noc(/C=C/c2cccc(O)c2)n1 ZINC000335767592 386909803 /nfs/dbraw/zinc/90/98/03/386909803.db2.gz YJURUKDQOOBDJJ-PBXKEAHJSA-N -1 0 242.278 3.069 20 0 BGADRM C[C@@H]1C[C@H]1c1noc(/C=C/c2cccc(O)c2)n1 ZINC000335767593 386909892 /nfs/dbraw/zinc/90/98/92/386909892.db2.gz YJURUKDQOOBDJJ-SNSIUTFNSA-N -1 0 242.278 3.069 20 0 BGADRM CC1(CC(=O)Nc2cccc(Cl)c2[O-])CC1 ZINC000335802791 355471541 /nfs/dbraw/zinc/47/15/41/355471541.db2.gz IHHPBASLUCVYFL-UHFFFAOYSA-N -1 0 239.702 3.174 20 0 BGADRM O=C(Nc1cccc(O)c1F)[C@H]1CC12CCCC2 ZINC000335857499 136356142 /nfs/dbraw/zinc/35/61/42/136356142.db2.gz QMEIKDJMPOOONN-SECBINFHSA-N -1 0 249.285 3.050 20 0 BGADRM O=C(Nc1cccc(O)c1F)[C@@H]1CC12CCCC2 ZINC000335857501 136356255 /nfs/dbraw/zinc/35/62/55/136356255.db2.gz QMEIKDJMPOOONN-VIFPVBQESA-N -1 0 249.285 3.050 20 0 BGADRM O=C(Nc1cccc(Cl)c1[O-])C1=CCCC1 ZINC000335858263 136356134 /nfs/dbraw/zinc/35/61/34/136356134.db2.gz HTENFZDWRUXXOH-UHFFFAOYSA-N -1 0 237.686 3.094 20 0 BGADRM O=C(C[C@H]1C=CCCC1)Nc1ccc(O)cc1F ZINC000335907059 136371152 /nfs/dbraw/zinc/37/11/52/136371152.db2.gz IRKNFDZAGVPBRI-JTQLQIEISA-N -1 0 249.285 3.216 20 0 BGADRM O=C(C[C@@H]1C=CCCC1)Nc1ccc(O)cc1F ZINC000335907061 136371319 /nfs/dbraw/zinc/37/13/19/136371319.db2.gz IRKNFDZAGVPBRI-SNVBAGLBSA-N -1 0 249.285 3.216 20 0 BGADRM C[C@@H]1C[C@@H]1CC(=O)Nc1cccc(Cl)c1[O-] ZINC000336013390 134052016 /nfs/dbraw/zinc/05/20/16/134052016.db2.gz XFFCYBXTBNUXNF-HTQZYQBOSA-N -1 0 239.702 3.030 20 0 BGADRM C[C@H]1C[C@@H]1CC(=O)Nc1cccc(Cl)c1[O-] ZINC000336013391 134052279 /nfs/dbraw/zinc/05/22/79/134052279.db2.gz XFFCYBXTBNUXNF-JGVFFNPUSA-N -1 0 239.702 3.030 20 0 BGADRM C[C@@H]1C[C@H]1CC(=O)Nc1cccc(Cl)c1[O-] ZINC000336013392 134052327 /nfs/dbraw/zinc/05/23/27/134052327.db2.gz XFFCYBXTBNUXNF-SFYZADRCSA-N -1 0 239.702 3.030 20 0 BGADRM C[C@H]1C[C@H]1CC(=O)Nc1cccc(Cl)c1[O-] ZINC000336013393 134052324 /nfs/dbraw/zinc/05/23/24/134052324.db2.gz XFFCYBXTBNUXNF-YUMQZZPRSA-N -1 0 239.702 3.030 20 0 BGADRM CC(C)C(C)(C)C(=O)Nc1cccc(O)c1F ZINC000336311351 387140354 /nfs/dbraw/zinc/14/03/54/387140354.db2.gz FBYWFVPCWWUKSC-UHFFFAOYSA-N -1 0 239.290 3.152 20 0 BGADRM CC(C)CC[C@@H](C)N=c1[n-]nc(C(F)F)s1 ZINC000336644620 386595374 /nfs/dbraw/zinc/59/53/74/386595374.db2.gz CKDYVFGPFWHWLU-SSDOTTSWSA-N -1 0 249.330 3.134 20 0 BGADRM CC(C)CC[C@H](C)N=c1[n-]nc(C(F)F)s1 ZINC000336644637 166902069 /nfs/dbraw/zinc/90/20/69/166902069.db2.gz CKDYVFGPFWHWLU-ZETCQYMHSA-N -1 0 249.330 3.134 20 0 BGADRM CC(C)(C)C(C)(C)N=c1nc(C2CC2)[n-]s1 ZINC000336671085 386811925 /nfs/dbraw/zinc/81/19/25/386811925.db2.gz NPXZBCNGOZKTMB-UHFFFAOYSA-N -1 0 239.388 3.074 20 0 BGADRM Cc1nc(=NCCCC2CCCCC2)s[n-]1 ZINC000336711872 388466695 /nfs/dbraw/zinc/46/66/95/388466695.db2.gz SKYCZUQDVFZIMJ-UHFFFAOYSA-N -1 0 239.388 3.041 20 0 BGADRM Cc1nc(=NCCCCC2CCCC2)s[n-]1 ZINC000336716261 385813841 /nfs/dbraw/zinc/81/38/41/385813841.db2.gz WAOZXGDTPISXRR-UHFFFAOYSA-N -1 0 239.388 3.041 20 0 BGADRM CC[C@H](N=c1[n-]nc(C(F)F)s1)C(C)(C)C ZINC000336734332 171494825 /nfs/dbraw/zinc/49/48/25/171494825.db2.gz KUOWDGAOGARXSH-LURJTMIESA-N -1 0 249.330 3.134 20 0 BGADRM CC[C@@H](N=c1[n-]nc(C(F)F)s1)C(C)(C)C ZINC000336734333 385667125 /nfs/dbraw/zinc/66/71/25/385667125.db2.gz KUOWDGAOGARXSH-ZCFIWIBFSA-N -1 0 249.330 3.134 20 0 BGADRM CC(C)c1n[n-]c(=N[C@@H]2CCC(C)(C)C2)s1 ZINC000336754774 386521762 /nfs/dbraw/zinc/52/17/62/386521762.db2.gz XFGSENSLNQJQCS-SECBINFHSA-N -1 0 239.388 3.074 20 0 BGADRM CC(C)c1n[n-]c(=N[C@H]2CCC(C)(C)C2)s1 ZINC000336754775 167656266 /nfs/dbraw/zinc/65/62/66/167656266.db2.gz XFGSENSLNQJQCS-VIFPVBQESA-N -1 0 239.388 3.074 20 0 BGADRM Cc1cc(CNc2cccc(C(=O)[O-])c2)cs1 ZINC000336894861 178043576 /nfs/dbraw/zinc/04/35/76/178043576.db2.gz XJNXBPMSFFUKMS-UHFFFAOYSA-N -1 0 247.319 3.367 20 0 BGADRM CC1(C)C[C@@H]1C[NH2+]Cc1cccc(O)c1Cl ZINC000336897139 136376409 /nfs/dbraw/zinc/37/64/09/136376409.db2.gz OUAHCEVXOGVPFE-SNVBAGLBSA-N -1 0 239.746 3.181 20 0 BGADRM CC1(C)C[C@H]1C(=O)Nc1cccc(Cl)c1[O-] ZINC000337516316 385700091 /nfs/dbraw/zinc/70/00/91/385700091.db2.gz IUYGYXUVLBWNHW-ZETCQYMHSA-N -1 0 239.702 3.030 20 0 BGADRM Cc1sc(/C=C/c2ccccc2)nc1C(=O)[O-] ZINC000339114098 180556538 /nfs/dbraw/zinc/55/65/38/180556538.db2.gz LCZOFGCDGBBBQB-BQYQJAHWSA-N -1 0 245.303 3.320 20 0 BGADRM Cc1sc(/C=C\c2ccccc2)nc1C(=O)[O-] ZINC000339114099 386256000 /nfs/dbraw/zinc/25/60/00/386256000.db2.gz LCZOFGCDGBBBQB-FPLPWBNLSA-N -1 0 245.303 3.320 20 0 BGADRM Cc1cccc(C(=O)Nc2ccc(F)cc2O)c1 ZINC000340332691 188389653 /nfs/dbraw/zinc/38/96/53/188389653.db2.gz YVDZIPDMXRXPAY-UHFFFAOYSA-N -1 0 245.253 3.092 20 0 BGADRM Cc1ccsc1/C=C\c1cc(C(=O)[O-])ccn1 ZINC000340592910 179534520 /nfs/dbraw/zinc/53/45/20/179534520.db2.gz GPUCOAPWMGIPJM-IHWYPQMZSA-N -1 0 245.303 3.320 20 0 BGADRM Cc1ccsc1/C=C/c1cc(C(=O)[O-])ccn1 ZINC000340592921 386298505 /nfs/dbraw/zinc/29/85/05/386298505.db2.gz GPUCOAPWMGIPJM-NSCUHMNNSA-N -1 0 245.303 3.320 20 0 BGADRM Cc1ccoc1CNc1ccc(C)c(C(=O)[O-])c1 ZINC000340671013 178768411 /nfs/dbraw/zinc/76/84/11/178768411.db2.gz ITKLRSMXYAJXIQ-UHFFFAOYSA-N -1 0 245.278 3.207 20 0 BGADRM Cc1ccc(NCc2ccsc2)cc1C(=O)[O-] ZINC000340671019 178764811 /nfs/dbraw/zinc/76/48/11/178764811.db2.gz IWVFXFBDNKNIHX-UHFFFAOYSA-N -1 0 247.319 3.367 20 0 BGADRM Cc1ccc(NCc2cccs2)cc1C(=O)[O-] ZINC000340672635 386651543 /nfs/dbraw/zinc/65/15/43/386651543.db2.gz CJDQNKFHXKBPAL-UHFFFAOYSA-N -1 0 247.319 3.367 20 0 BGADRM Cc1ccc(CNc2ccc(C)c(C(=O)[O-])c2)o1 ZINC000340677054 386666552 /nfs/dbraw/zinc/66/65/52/386666552.db2.gz JZPRZXROHOUWCQ-UHFFFAOYSA-N -1 0 245.278 3.207 20 0 BGADRM Cc1ccc(NCc2ccccc2)cc1C(=O)[O-] ZINC000340682128 178764807 /nfs/dbraw/zinc/76/48/07/178764807.db2.gz SBNAHWZSWVHZAN-UHFFFAOYSA-N -1 0 241.290 3.305 20 0 BGADRM Cc1nc(=Nc2ccc(F)c(C3CC3)c2)s[n-]1 ZINC000341408153 386906057 /nfs/dbraw/zinc/90/60/57/386906057.db2.gz MWKJLOKLLTWQAB-UHFFFAOYSA-N -1 0 249.314 3.029 20 0 BGADRM O=C([O-])CCCN1CCCCCc2ccccc21 ZINC000342092890 385924747 /nfs/dbraw/zinc/92/47/47/385924747.db2.gz DGJDYDWRRVXPPG-UHFFFAOYSA-N -1 0 247.338 3.084 20 0 BGADRM Cc1cccc(N(CCCC(=O)[O-])C(C)C)c1 ZINC000342130265 179118094 /nfs/dbraw/zinc/11/80/94/179118094.db2.gz MCRWSKZEJBLBCY-UHFFFAOYSA-N -1 0 235.327 3.075 20 0 BGADRM Cc1ccccc1N(CCCCC(=O)[O-])C(C)C ZINC000342132832 179296709 /nfs/dbraw/zinc/29/67/09/179296709.db2.gz PAAYAQYJFDTRIT-UHFFFAOYSA-N -1 0 249.354 3.465 20 0 BGADRM Cc1cccc(N(CCCCC(=O)[O-])C(C)C)c1 ZINC000342150795 179117702 /nfs/dbraw/zinc/11/77/02/179117702.db2.gz ZEWJBGPTIWUKKP-UHFFFAOYSA-N -1 0 249.354 3.465 20 0 BGADRM Cc1ccc(C)c(N(CCCC(=O)[O-])C(C)C)c1 ZINC000342179402 385938662 /nfs/dbraw/zinc/93/86/62/385938662.db2.gz YFUHXHILIHMNAE-UHFFFAOYSA-N -1 0 249.354 3.383 20 0 BGADRM C(CCC1CCCC1)CN=c1[n-]nc(C2CC2)o1 ZINC000342298707 135257389 /nfs/dbraw/zinc/25/73/89/135257389.db2.gz WIKMUYDTKZAFIN-UHFFFAOYSA-N -1 0 249.358 3.141 20 0 BGADRM CCCC[C@@H](CCC)N=c1[n-]nc(C2CC2)o1 ZINC000342818677 352864168 /nfs/dbraw/zinc/86/41/68/352864168.db2.gz XWXDZTDFTRUPPC-LLVKDONJSA-N -1 0 237.347 3.140 20 0 BGADRM CCCC[C@H](CCC)N=c1[n-]nc(C2CC2)o1 ZINC000342818679 352863937 /nfs/dbraw/zinc/86/39/37/352863937.db2.gz XWXDZTDFTRUPPC-NSHDSACASA-N -1 0 237.347 3.140 20 0 BGADRM CCC1(CN=c2[n-]nc(C3CC3)o2)CCCCC1 ZINC000342838605 136224886 /nfs/dbraw/zinc/22/48/86/136224886.db2.gz HHQKQDIVRYFAML-UHFFFAOYSA-N -1 0 249.358 3.141 20 0 BGADRM C[C@@H](CC1CCCCC1)N=c1[n-]nc(C2CC2)o1 ZINC000343078295 352955097 /nfs/dbraw/zinc/95/50/97/352955097.db2.gz DRRNMWBZFSESME-JTQLQIEISA-N -1 0 249.358 3.140 20 0 BGADRM C[C@H](CC1CCCCC1)N=c1[n-]nc(C2CC2)o1 ZINC000343078296 352955185 /nfs/dbraw/zinc/95/51/85/352955185.db2.gz DRRNMWBZFSESME-SNVBAGLBSA-N -1 0 249.358 3.140 20 0 BGADRM Cc1sc2nc(C(=O)[O-])cc(C3CC3)c2c1C ZINC000343489169 353907834 /nfs/dbraw/zinc/90/78/34/353907834.db2.gz ZKGOTTMAIVYTLV-UHFFFAOYSA-N -1 0 247.319 3.489 20 0 BGADRM CC[C@@H](N=c1[n-]c(C(C)C)no1)c1ccccc1 ZINC000346859860 355118723 /nfs/dbraw/zinc/11/87/23/355118723.db2.gz CEPTXUOHABSFTB-GFCCVEGCSA-N -1 0 245.326 3.178 20 0 BGADRM CC[C@H](N=c1[n-]c(C(C)C)no1)c1ccccc1 ZINC000346859862 135973768 /nfs/dbraw/zinc/97/37/68/135973768.db2.gz CEPTXUOHABSFTB-LBPRGKRZSA-N -1 0 245.326 3.178 20 0 BGADRM CC(C)c1noc(=N[C@@H](C)CCC(C)(C)C)[n-]1 ZINC000346872211 355141102 /nfs/dbraw/zinc/14/11/02/355141102.db2.gz JBTSEKBCQWZOFY-JTQLQIEISA-N -1 0 239.363 3.242 20 0 BGADRM CC(C)c1noc(=N[C@H](C)CCC(C)(C)C)[n-]1 ZINC000346872212 355140887 /nfs/dbraw/zinc/14/08/87/355140887.db2.gz JBTSEKBCQWZOFY-SNVBAGLBSA-N -1 0 239.363 3.242 20 0 BGADRM Cc1ccc(/C=C/c2cc(C(=O)[O-])ccn2)s1 ZINC000347419132 133832782 /nfs/dbraw/zinc/83/27/82/133832782.db2.gz ONQLLQUTVIDLKB-HWKANZROSA-N -1 0 245.303 3.320 20 0 BGADRM Cc1ccc(/C=C\c2cc(C(=O)[O-])ccn2)s1 ZINC000347419133 386397481 /nfs/dbraw/zinc/39/74/81/386397481.db2.gz ONQLLQUTVIDLKB-HYXAFXHYSA-N -1 0 245.303 3.320 20 0 BGADRM O=C([O-])c1ccnc(/C=C/c2ccccc2F)c1 ZINC000347426970 386399290 /nfs/dbraw/zinc/39/92/90/386399290.db2.gz ZDSKHACCLXZKAR-AATRIKPKSA-N -1 0 243.237 3.089 20 0 BGADRM O=C([O-])c1ccnc(/C=C\c2ccccc2F)c1 ZINC000347426973 386398832 /nfs/dbraw/zinc/39/88/32/386398832.db2.gz ZDSKHACCLXZKAR-WAYWQWQTSA-N -1 0 243.237 3.089 20 0 BGADRM CC(C)(C)CCc1nc(=O)c2sccc2[n-]1 ZINC000349004963 136316040 /nfs/dbraw/zinc/31/60/40/136316040.db2.gz LQKBDXJPKBYHLA-UHFFFAOYSA-N -1 0 236.340 3.376 20 0 BGADRM Cc1ccc(-c2noc(-c3ccccc3O)n2)o1 ZINC000350809953 358143298 /nfs/dbraw/zinc/14/32/98/358143298.db2.gz UXZBWDRPVUSFII-UHFFFAOYSA-N -1 0 242.234 3.011 20 0 BGADRM CCC(CC)(CC)CN=c1[n-]nc(C(F)F)o1 ZINC000351549743 356014526 /nfs/dbraw/zinc/01/45/26/356014526.db2.gz FCTUNHRHFPATQW-UHFFFAOYSA-N -1 0 247.289 3.057 20 0 BGADRM CC(C)(C)CC[NH2+]Cc1c(F)ccc(O)c1F ZINC000352091103 134061446 /nfs/dbraw/zinc/06/14/46/134061446.db2.gz GZGKWKBGDVRHFD-UHFFFAOYSA-N -1 0 243.297 3.196 20 0 BGADRM C[C@@H]1C[C@H]1CC(=O)Nc1cc(Cl)ccc1O ZINC000352913722 386966536 /nfs/dbraw/zinc/96/65/36/386966536.db2.gz LLNZGROEMXAASO-SFYZADRCSA-N -1 0 239.702 3.030 20 0 BGADRM O=C([O-])c1cnc(/C=C\c2ccc(F)cc2)s1 ZINC000355368221 387527146 /nfs/dbraw/zinc/52/71/46/387527146.db2.gz KZQYYQSCGTXCKW-UTCJRWHESA-N -1 0 249.266 3.151 20 0 BGADRM O=C([O-])c1cnc(/C=C/c2ccc(F)cc2)s1 ZINC000355368224 387528276 /nfs/dbraw/zinc/52/82/76/387528276.db2.gz KZQYYQSCGTXCKW-ZZXKWVIFSA-N -1 0 249.266 3.151 20 0 BGADRM O=C([O-])c1cnc(/C=C/c2ccccc2F)s1 ZINC000355368236 387527985 /nfs/dbraw/zinc/52/79/85/387527985.db2.gz LAJHSMQSDBNKFP-AATRIKPKSA-N -1 0 249.266 3.151 20 0 BGADRM O=C([O-])c1cnc(/C=C\c2ccccc2F)s1 ZINC000355368240 387527364 /nfs/dbraw/zinc/52/73/64/387527364.db2.gz LAJHSMQSDBNKFP-WAYWQWQTSA-N -1 0 249.266 3.151 20 0 BGADRM Cc1ccc(/C=C\c2ncc(C(=O)[O-])s2)cc1 ZINC000355376515 178358054 /nfs/dbraw/zinc/35/80/54/178358054.db2.gz LMTADFGDMCVWSP-SREVYHEPSA-N -1 0 245.303 3.320 20 0 BGADRM Cc1ccc(/C=C/c2ncc(C(=O)[O-])s2)cc1 ZINC000355376516 178356433 /nfs/dbraw/zinc/35/64/33/178356433.db2.gz LMTADFGDMCVWSP-VOTSOKGWSA-N -1 0 245.303 3.320 20 0 BGADRM O=C([O-])c1cnc(/C=C\c2cccc(F)c2)s1 ZINC000355380466 387530423 /nfs/dbraw/zinc/53/04/23/387530423.db2.gz STOYSNHCYHOIJE-PLNGDYQASA-N -1 0 249.266 3.151 20 0 BGADRM O=C([O-])c1cnc(/C=C/c2cccc(F)c2)s1 ZINC000355380467 387529693 /nfs/dbraw/zinc/52/96/93/387529693.db2.gz STOYSNHCYHOIJE-SNAWJCMRSA-N -1 0 249.266 3.151 20 0 BGADRM Cc1cccc(/C=C/c2ncc(C(=O)[O-])s2)c1 ZINC000355383244 179002785 /nfs/dbraw/zinc/00/27/85/179002785.db2.gz YJOVIVHKDKQDGK-AATRIKPKSA-N -1 0 245.303 3.320 20 0 BGADRM Cc1cccc(/C=C\c2ncc(C(=O)[O-])s2)c1 ZINC000355383245 387529843 /nfs/dbraw/zinc/52/98/43/387529843.db2.gz YJOVIVHKDKQDGK-WAYWQWQTSA-N -1 0 245.303 3.320 20 0 BGADRM Cc1nc(=NCc2cccc(C(C)C)c2)s[n-]1 ZINC000355778025 397921824 /nfs/dbraw/zinc/92/18/24/397921824.db2.gz FQTAFWZFTGRZBO-UHFFFAOYSA-N -1 0 247.367 3.004 20 0 BGADRM Cc1nc(=Nc2ccc(C3CC3)c(C)c2)s[n-]1 ZINC000355781777 397923040 /nfs/dbraw/zinc/92/30/40/397923040.db2.gz LBEAGTQUQNLXDA-UHFFFAOYSA-N -1 0 245.351 3.198 20 0 BGADRM Cc1n[n-]c(=NCc2cccc(C(C)C)c2)s1 ZINC000355787989 385724026 /nfs/dbraw/zinc/72/40/26/385724026.db2.gz TVGSENFQJFFSEY-UHFFFAOYSA-N -1 0 247.367 3.004 20 0 BGADRM CCC(CC)(CC)CNC(=O)c1cccc(O)c1 ZINC000357409468 168315039 /nfs/dbraw/zinc/31/50/39/168315039.db2.gz ZSGPNJARQCAKRO-UHFFFAOYSA-N -1 0 249.354 3.338 20 0 BGADRM CC1(C)CC(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000359841765 167887473 /nfs/dbraw/zinc/88/74/73/167887473.db2.gz MJEVOAZLNYODHT-UHFFFAOYSA-N -1 0 248.351 3.376 20 0 BGADRM CC(C)C[C@@H](C)C(=O)Nc1ccc(F)cc1O ZINC000360951528 387372563 /nfs/dbraw/zinc/37/25/63/387372563.db2.gz PSECZZKNZDJIBS-SECBINFHSA-N -1 0 239.290 3.152 20 0 BGADRM CC(C)C[C@H](C)C(=O)Nc1ccc(F)cc1O ZINC000360951529 387371944 /nfs/dbraw/zinc/37/19/44/387371944.db2.gz PSECZZKNZDJIBS-VIFPVBQESA-N -1 0 239.290 3.152 20 0 BGADRM CCCCC(=O)Nc1cc(C(=O)CC)ccc1[O-] ZINC000361149232 387405076 /nfs/dbraw/zinc/40/50/76/387405076.db2.gz JMDHUHHLFAIBQT-UHFFFAOYSA-N -1 0 249.310 3.114 20 0 BGADRM COc1cc(C)c(-c2cc(C(=O)[O-])co2)cc1C ZINC000378897051 346854714 /nfs/dbraw/zinc/85/47/14/346854714.db2.gz AUJQVNHVSNTQFK-UHFFFAOYSA-N -1 0 246.262 3.270 20 0 BGADRM Cc1cc(-c2cc(C(=O)[O-])co2)c(F)cc1F ZINC000378905975 346856596 /nfs/dbraw/zinc/85/65/96/346856596.db2.gz DPOCEPMXEZQLSB-UHFFFAOYSA-N -1 0 238.189 3.231 20 0 BGADRM O=C([O-])c1coc(-c2cnc3ccccc3c2)c1 ZINC000378952690 712368105 /nfs/dbraw/zinc/36/81/05/712368105.db2.gz QQCRWRHDRRNOLQ-UHFFFAOYSA-N -1 0 239.230 3.193 20 0 BGADRM CC(C)ONC(=O)CCCC1CCCCC1 ZINC000379008524 712367757 /nfs/dbraw/zinc/36/77/57/712367757.db2.gz JDVQUGVYPSCADK-UHFFFAOYSA-N -1 0 227.348 3.193 20 0 BGADRM CC[C@H](C)[C@@H](C(=O)[N-]OC(C)C)c1ccccc1 ZINC000379023116 712368494 /nfs/dbraw/zinc/36/84/94/712368494.db2.gz TZGQDHRGADANCB-GXTWGEPZSA-N -1 0 249.354 3.273 20 0 BGADRM CC[C@H](C)[C@H](C(=O)[N-]OC(C)C)c1ccccc1 ZINC000379023117 711690369 /nfs/dbraw/zinc/69/03/69/711690369.db2.gz TZGQDHRGADANCB-JSGCOSHPSA-N -1 0 249.354 3.273 20 0 BGADRM CC[C@@H](C)[C@H](C(=O)[N-]OC(C)C)c1ccccc1 ZINC000379023118 712368907 /nfs/dbraw/zinc/36/89/07/712368907.db2.gz TZGQDHRGADANCB-OCCSQVGLSA-N -1 0 249.354 3.273 20 0 BGADRM CC[C@@H](C)[C@@H](C(=O)[N-]OC(C)C)c1ccccc1 ZINC000379023119 712368767 /nfs/dbraw/zinc/36/87/67/712368767.db2.gz TZGQDHRGADANCB-TZMCWYRMSA-N -1 0 249.354 3.273 20 0 BGADRM CCCCc1ccc(CC(=O)NOC(C)C)cc1 ZINC000379027495 712367866 /nfs/dbraw/zinc/36/78/66/712367866.db2.gz VKHUAUXUKOSHKS-UHFFFAOYSA-N -1 0 249.354 3.028 20 0 BGADRM Cc1ccc(-c2cc(C(=O)[O-])co2)c(F)c1F ZINC000379093143 712369389 /nfs/dbraw/zinc/36/93/89/712369389.db2.gz ATENPTORPZWTPH-UHFFFAOYSA-N -1 0 238.189 3.231 20 0 BGADRM O=C([O-])c1coc(-c2cc3ccccc3o2)c1 ZINC000379093964 712369603 /nfs/dbraw/zinc/36/96/03/712369603.db2.gz BFAYCXPRFOGXRB-UHFFFAOYSA-N -1 0 228.203 3.391 20 0 BGADRM O=C([O-])c1coc(-c2ccc3c(c2)CCC3)c1 ZINC000379096066 371047020 /nfs/dbraw/zinc/04/70/20/371047020.db2.gz CCKDYWVVWZZPOG-UHFFFAOYSA-N -1 0 228.247 3.134 20 0 BGADRM O=C([O-])c1coc(-c2ccc(Cl)cc2F)c1 ZINC000379097405 712369758 /nfs/dbraw/zinc/36/97/58/712369758.db2.gz CUKSHMUUDQEYKJ-UHFFFAOYSA-N -1 0 240.617 3.437 20 0 BGADRM O=C([O-])c1coc(-c2ccc(F)c(Cl)c2)c1 ZINC000379097837 712369647 /nfs/dbraw/zinc/36/96/47/712369647.db2.gz CZNDYFGZMQHKOZ-UHFFFAOYSA-N -1 0 240.617 3.437 20 0 BGADRM O=C([O-])c1coc(-c2ccc(F)cc2Cl)c1 ZINC000379119160 712370056 /nfs/dbraw/zinc/37/00/56/712370056.db2.gz NGGIUWPDNXOAEV-UHFFFAOYSA-N -1 0 240.617 3.437 20 0 BGADRM Cc1ccc(F)cc1-c1cc(C(=O)[O-])co1 ZINC000379141001 712370174 /nfs/dbraw/zinc/37/01/74/712370174.db2.gz AUSDYSGYWKLPJD-UHFFFAOYSA-N -1 0 220.199 3.092 20 0 BGADRM Cc1cc(F)ccc1-c1cc(C(=O)[O-])co1 ZINC000379166597 712370864 /nfs/dbraw/zinc/37/08/64/712370864.db2.gz MKPROGUSFLREQS-UHFFFAOYSA-N -1 0 220.199 3.092 20 0 BGADRM Cc1ccc(-c2cc(C(=O)[O-])co2)cc1C ZINC000379167070 356377321 /nfs/dbraw/zinc/37/73/21/356377321.db2.gz MROMHBGCIIJUKI-UHFFFAOYSA-N -1 0 216.236 3.262 20 0 BGADRM Cc1ccc(-c2cc(C(=O)[O-])co2)c(C)c1 ZINC000379173605 712371227 /nfs/dbraw/zinc/37/12/27/712371227.db2.gz PLXGWXMOUPROGZ-UHFFFAOYSA-N -1 0 216.236 3.262 20 0 BGADRM CCc1ccc(-c2cc(C(=O)[O-])co2)cc1 ZINC000379189907 371057122 /nfs/dbraw/zinc/05/71/22/371057122.db2.gz XXVPRWLTMYRQPB-UHFFFAOYSA-N -1 0 216.236 3.207 20 0 BGADRM N#C/C(=C/c1csc(Cl)c1Cl)C(=O)[O-] ZINC000379665627 712391963 /nfs/dbraw/zinc/39/19/63/712391963.db2.gz WHMFNJUYENMSBK-RJRFIUFISA-N -1 0 248.090 3.046 20 0 BGADRM O=C([O-])c1cnc(/C=C\c2cccs2)s1 ZINC000380118216 365900444 /nfs/dbraw/zinc/90/04/44/365900444.db2.gz PVDHYTSZDFAKOK-ARJAWSKDSA-N -1 0 237.305 3.073 20 0 BGADRM O=C([O-])CCCSc1ccnc2ccccc21 ZINC000380206080 600029128 /nfs/dbraw/zinc/02/91/28/600029128.db2.gz SHCIPGGNSXALTL-UHFFFAOYSA-N -1 0 247.319 3.192 20 0 BGADRM C[C@@H](S[C@H](C)c1ccccc1F)C(=O)[O-] ZINC000380258434 597051786 /nfs/dbraw/zinc/05/17/86/597051786.db2.gz QWQTWKBUIDDEHD-HTQZYQBOSA-N -1 0 228.288 3.093 20 0 BGADRM C[C@@H](S[C@@H](C)c1ccccc1F)C(=O)[O-] ZINC000380258435 597051886 /nfs/dbraw/zinc/05/18/86/597051886.db2.gz QWQTWKBUIDDEHD-JGVFFNPUSA-N -1 0 228.288 3.093 20 0 BGADRM C[C@@H](S[C@@H](C)C(=O)[O-])c1ccccc1F ZINC000380258436 597051936 /nfs/dbraw/zinc/05/19/36/597051936.db2.gz QWQTWKBUIDDEHD-SFYZADRCSA-N -1 0 228.288 3.093 20 0 BGADRM C[C@H](S[C@@H](C)c1ccccc1F)C(=O)[O-] ZINC000380258437 597051855 /nfs/dbraw/zinc/05/18/55/597051855.db2.gz QWQTWKBUIDDEHD-YUMQZZPRSA-N -1 0 228.288 3.093 20 0 BGADRM CC(C)(C)CCCN=c1nc(C2CC2)[n-]s1 ZINC000381127140 367352819 /nfs/dbraw/zinc/35/28/19/367352819.db2.gz JRKLWBSJAJUAMY-UHFFFAOYSA-N -1 0 239.388 3.076 20 0 BGADRM CC(C)(C)CCCN=c1[n-]nc(C2CC2)s1 ZINC000381210029 538996636 /nfs/dbraw/zinc/99/66/36/538996636.db2.gz HADGSBUOEPHOTQ-UHFFFAOYSA-N -1 0 239.388 3.076 20 0 BGADRM Cc1n[n-]c(=NCCCCC2CCCC2)s1 ZINC000381385446 344499629 /nfs/dbraw/zinc/49/96/29/344499629.db2.gz MPHNYWSGPWUTGQ-UHFFFAOYSA-N -1 0 239.388 3.041 20 0 BGADRM Cc1n[n-]c(=N[C@@H](C)CC2CCCCC2)s1 ZINC000381397957 345801214 /nfs/dbraw/zinc/80/12/14/345801214.db2.gz AONDLTAACKFUKE-VIFPVBQESA-N -1 0 239.388 3.039 20 0 BGADRM Cc1n[n-]c(=NCCCC2CCCCC2)s1 ZINC000381428592 345858420 /nfs/dbraw/zinc/85/84/20/345858420.db2.gz ZUYRSWKKWOQJHL-UHFFFAOYSA-N -1 0 239.388 3.041 20 0 BGADRM Cc1nc(=N[C@H](C)CC2CCCCC2)s[n-]1 ZINC000381499056 367420314 /nfs/dbraw/zinc/42/03/14/367420314.db2.gz BXTYFVUGTCQDKV-SECBINFHSA-N -1 0 239.388 3.039 20 0 BGADRM CC[C@@H]1CCC[C@H]1N=c1nc(C(C)C)[n-]s1 ZINC000381584756 346388024 /nfs/dbraw/zinc/38/80/24/346388024.db2.gz GZAYBXYYVRLICI-NXEZZACHSA-N -1 0 239.388 3.074 20 0 BGADRM CC[C@H]1CCC[C@@H]1N=c1nc(C(C)C)[n-]s1 ZINC000381584757 346388100 /nfs/dbraw/zinc/38/81/00/346388100.db2.gz GZAYBXYYVRLICI-UWVGGRQHSA-N -1 0 239.388 3.074 20 0 BGADRM CC[C@H]1CCC[C@H]1N=c1nc(C(C)C)[n-]s1 ZINC000381584758 346388077 /nfs/dbraw/zinc/38/80/77/346388077.db2.gz GZAYBXYYVRLICI-VHSXEESVSA-N -1 0 239.388 3.074 20 0 BGADRM CC[C@@H]1CCC[C@@H]1N=c1nc(C(C)C)[n-]s1 ZINC000381584759 346388157 /nfs/dbraw/zinc/38/81/57/346388157.db2.gz GZAYBXYYVRLICI-ZJUUUORDSA-N -1 0 239.388 3.074 20 0 BGADRM Cc1ccc(CSCCCC(=O)[O-])cc1C ZINC000381630683 602289385 /nfs/dbraw/zinc/28/93/85/602289385.db2.gz MRJXQKJSXCOMPQ-UHFFFAOYSA-N -1 0 238.352 3.401 20 0 BGADRM CCCc1nc(=NC(C)(C)C(C)(C)C)s[n-]1 ZINC000381634785 367442202 /nfs/dbraw/zinc/44/22/02/367442202.db2.gz NVLLAQBDRZUNQA-UHFFFAOYSA-N -1 0 241.404 3.149 20 0 BGADRM Cc1cc(CS[C@H](C)C(=O)[O-])c(C)s1 ZINC000381644567 597071630 /nfs/dbraw/zinc/07/16/30/597071630.db2.gz SXNPXIIDESLWEO-MRVPVSSYSA-N -1 0 230.354 3.071 20 0 BGADRM Cc1cc(CS[C@@H](C)C(=O)[O-])c(C)s1 ZINC000381644570 597071363 /nfs/dbraw/zinc/07/13/63/597071363.db2.gz SXNPXIIDESLWEO-QMMMGPOBSA-N -1 0 230.354 3.071 20 0 BGADRM Cc1cc(-c2cc(C(=O)[O-])ccc2C)sn1 ZINC000381879142 710758041 /nfs/dbraw/zinc/75/80/41/710758041.db2.gz NHGVLWCSWIXZKQ-UHFFFAOYSA-N -1 0 233.292 3.125 20 0 BGADRM Cc1cc(-c2ccc(C)cc2C(=O)[O-])sn1 ZINC000381903918 710757952 /nfs/dbraw/zinc/75/79/52/710757952.db2.gz WFHFEEFGWXGLLX-UHFFFAOYSA-N -1 0 233.292 3.125 20 0 BGADRM Cc1cc(-c2ccc(C(=O)[O-])cc2C)sn1 ZINC000382216812 711612572 /nfs/dbraw/zinc/61/25/72/711612572.db2.gz PZVCSBRESFVZLP-UHFFFAOYSA-N -1 0 233.292 3.125 20 0 BGADRM Cc1cc(-c2cc(C(=O)[O-])co2)ccc1F ZINC000382238505 711665351 /nfs/dbraw/zinc/66/53/51/711665351.db2.gz FYEMSDSMELMSFS-UHFFFAOYSA-N -1 0 220.199 3.092 20 0 BGADRM Cc1cccc(-c2cc(C(=O)[O-])co2)c1C ZINC000382269009 367502741 /nfs/dbraw/zinc/50/27/41/367502741.db2.gz MNABWBIKLFRHHZ-UHFFFAOYSA-N -1 0 216.236 3.262 20 0 BGADRM Cc1cc(-c2cc(C)ccc2C(=O)[O-])sn1 ZINC000382511547 711921669 /nfs/dbraw/zinc/92/16/69/711921669.db2.gz RRAOYWWNNKCKCQ-UHFFFAOYSA-N -1 0 233.292 3.125 20 0 BGADRM CCCc1nc(=NC2(CC)CCCC2)s[n-]1 ZINC000382547521 397954653 /nfs/dbraw/zinc/95/46/53/397954653.db2.gz GJWLVBIUAKERQA-UHFFFAOYSA-N -1 0 239.388 3.047 20 0 BGADRM CC[C@H](NC(=O)c1cccc(O)c1)C1CCCC1 ZINC000382865277 367564982 /nfs/dbraw/zinc/56/49/82/367564982.db2.gz LPXARRYCMOQZLO-AWEZNQCLSA-N -1 0 247.338 3.091 20 0 BGADRM CC[C@@H](NC(=O)c1cccc(O)c1)C1CCCC1 ZINC000382865279 367565260 /nfs/dbraw/zinc/56/52/60/367565260.db2.gz LPXARRYCMOQZLO-CQSZACIVSA-N -1 0 247.338 3.091 20 0 BGADRM O=C([O-])c1coc(-c2cc(F)c(F)c(F)c2)c1 ZINC000383132014 367599355 /nfs/dbraw/zinc/59/93/55/367599355.db2.gz VKPPACMRYGBWMD-UHFFFAOYSA-N -1 0 242.152 3.062 20 0 BGADRM C[C@H](CC(=O)[O-])SC[C@@H](C)c1ccccc1 ZINC000384281642 600247559 /nfs/dbraw/zinc/24/75/59/600247559.db2.gz BQTSXFRLAVOPAL-GHMZBOCLSA-N -1 0 238.352 3.387 20 0 BGADRM C[C@@H](CC(=O)[O-])SC[C@@H](C)c1ccccc1 ZINC000384281644 600247684 /nfs/dbraw/zinc/24/76/84/600247684.db2.gz BQTSXFRLAVOPAL-MNOVXSKESA-N -1 0 238.352 3.387 20 0 BGADRM C[C@@H](CS[C@@H](C)CC(=O)[O-])c1ccccc1 ZINC000384281645 600247831 /nfs/dbraw/zinc/24/78/31/600247831.db2.gz BQTSXFRLAVOPAL-QWRGUYRKSA-N -1 0 238.352 3.387 20 0 BGADRM C[C@H](CC(=O)[O-])SC[C@H](C)c1ccccc1 ZINC000384281646 600247769 /nfs/dbraw/zinc/24/77/69/600247769.db2.gz BQTSXFRLAVOPAL-WDEREUQCSA-N -1 0 238.352 3.387 20 0 BGADRM C[C@H](CSC[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000384347174 600247547 /nfs/dbraw/zinc/24/75/47/600247547.db2.gz ZJYZUNQLCOQASK-GHMZBOCLSA-N -1 0 238.352 3.244 20 0 BGADRM C[C@@H](CSC[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000384347175 600247773 /nfs/dbraw/zinc/24/77/73/600247773.db2.gz ZJYZUNQLCOQASK-MNOVXSKESA-N -1 0 238.352 3.244 20 0 BGADRM C[C@@H](CSC[C@H](C)c1ccccc1)C(=O)[O-] ZINC000384347176 600247584 /nfs/dbraw/zinc/24/75/84/600247584.db2.gz ZJYZUNQLCOQASK-QWRGUYRKSA-N -1 0 238.352 3.244 20 0 BGADRM C[C@@H](CSC[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000384347177 600247529 /nfs/dbraw/zinc/24/75/29/600247529.db2.gz ZJYZUNQLCOQASK-WDEREUQCSA-N -1 0 238.352 3.244 20 0 BGADRM C[C@@H](CC(C)(C)C)N=c1[n-]nc(C(F)F)s1 ZINC000384532726 367698069 /nfs/dbraw/zinc/69/80/69/367698069.db2.gz ZRKSSWCJPRSSMR-LURJTMIESA-N -1 0 249.330 3.134 20 0 BGADRM C[C@H](CC(C)(C)C)N=c1[n-]nc(C(F)F)s1 ZINC000384532730 367697980 /nfs/dbraw/zinc/69/79/80/367697980.db2.gz ZRKSSWCJPRSSMR-ZCFIWIBFSA-N -1 0 249.330 3.134 20 0 BGADRM Cc1cc(N[C@@H]2C[C@@H](C)[C@@H]2C)ccc1C(=O)[O-] ZINC000385587468 367844779 /nfs/dbraw/zinc/84/47/79/367844779.db2.gz VLLHJEUXKGMFRH-DFAYQTQMSA-N -1 0 233.311 3.150 20 0 BGADRM Cc1cc(N[C@@H]2C[C@H](C)[C@@H]2C)ccc1C(=O)[O-] ZINC000385587469 367845238 /nfs/dbraw/zinc/84/52/38/367845238.db2.gz VLLHJEUXKGMFRH-GMOODISLSA-N -1 0 233.311 3.150 20 0 BGADRM Cc1cc(N[C@@H]2C[C@H](C)[C@H]2C)ccc1C(=O)[O-] ZINC000385587470 367845647 /nfs/dbraw/zinc/84/56/47/367845647.db2.gz VLLHJEUXKGMFRH-IYYTYJHQSA-N -1 0 233.311 3.150 20 0 BGADRM Cc1cc(N[C@@H]2C[C@@H](C)[C@H]2C)ccc1C(=O)[O-] ZINC000385587471 367845629 /nfs/dbraw/zinc/84/56/29/367845629.db2.gz VLLHJEUXKGMFRH-ZDSQKVDBSA-N -1 0 233.311 3.150 20 0 BGADRM O=C([O-])c1coc(-c2ccc(OC3CC3)cc2)c1 ZINC000386012199 711021276 /nfs/dbraw/zinc/02/12/76/711021276.db2.gz VAQHGFOSDRFEHS-UHFFFAOYSA-N -1 0 244.246 3.186 20 0 BGADRM CC(C)Oc1ccc(-c2cc(C(=O)[O-])co2)cc1 ZINC000386021148 367899051 /nfs/dbraw/zinc/89/90/51/367899051.db2.gz XDCXVPCLSBVORW-UHFFFAOYSA-N -1 0 246.262 3.432 20 0 BGADRM CCN(CC(C)(C)C)C(=O)c1ccc(O)c(C)c1 ZINC000386059394 367906993 /nfs/dbraw/zinc/90/69/93/367906993.db2.gz DESCDQLESGUUPW-UHFFFAOYSA-N -1 0 249.354 3.209 20 0 BGADRM CC[C@@H]1C[C@H]1C[NH2+]Cc1cccc(O)c1Cl ZINC000388018422 347154408 /nfs/dbraw/zinc/15/44/08/347154408.db2.gz OIVBWRCQVSXDHX-KOLCDFICSA-N -1 0 239.746 3.181 20 0 BGADRM CC1(C)CCC(CSCC(=O)[O-])CC1 ZINC000388653293 605229910 /nfs/dbraw/zinc/22/99/10/605229910.db2.gz ALXCWLAOSLJLAB-UHFFFAOYSA-N -1 0 216.346 3.021 20 0 BGADRM O=C(NCC1CCCCCC1)c1cccc(O)c1 ZINC000389583048 356994473 /nfs/dbraw/zinc/99/44/73/356994473.db2.gz FMLMNMHWOFICGX-UHFFFAOYSA-N -1 0 247.338 3.092 20 0 BGADRM O=C([O-])c1cnc(/C=C\c2ccsc2)s1 ZINC000389925565 357068671 /nfs/dbraw/zinc/06/86/71/357068671.db2.gz VWPAKORONILXNZ-UPHRSURJSA-N -1 0 237.305 3.073 20 0 BGADRM CCCN=c1[n-]nc(SC(CC)CC)s1 ZINC000390001631 323083012 /nfs/dbraw/zinc/08/30/12/323083012.db2.gz TXGDTKRQNVROFL-UHFFFAOYSA-N -1 0 245.417 3.063 20 0 BGADRM CC(C)CC1(CNc2cccc(C(=O)[O-])n2)CC1 ZINC000391721721 604715695 /nfs/dbraw/zinc/71/56/95/604715695.db2.gz SYDXJTPLWMXJJN-UHFFFAOYSA-N -1 0 248.326 3.018 20 0 BGADRM CC(C)CC[NH2+]Cc1cccc(O)c1Cl ZINC000393250072 387886408 /nfs/dbraw/zinc/88/64/08/387886408.db2.gz DMJSJXIOZIHMFG-UHFFFAOYSA-N -1 0 227.735 3.181 20 0 BGADRM Cc1c(N[C@@H](C)C2CCC2)cccc1C(=O)[O-] ZINC000393362352 711157826 /nfs/dbraw/zinc/15/78/26/711157826.db2.gz HILAIZMKJQPIHC-JTQLQIEISA-N -1 0 233.311 3.294 20 0 BGADRM Cc1c(N[C@H](C)C2CCC2)cccc1C(=O)[O-] ZINC000393362354 711157833 /nfs/dbraw/zinc/15/78/33/711157833.db2.gz HILAIZMKJQPIHC-SNVBAGLBSA-N -1 0 233.311 3.294 20 0 BGADRM Oc1cccc(C[NH2+]C2(C3CC3)CC2)c1Cl ZINC000393504996 410724617 /nfs/dbraw/zinc/72/46/17/410724617.db2.gz VGDGANONRGPWDG-UHFFFAOYSA-N -1 0 237.730 3.078 20 0 BGADRM CCOc1cccc(-c2cc(C(=O)[O-])co2)c1 ZINC000393594186 410752159 /nfs/dbraw/zinc/75/21/59/410752159.db2.gz BUOWFBBATYFDBV-UHFFFAOYSA-N -1 0 232.235 3.044 20 0 BGADRM CCC[C@@H](CC)N=c1[n-]nc(C(C)C)s1 ZINC000393647395 388435860 /nfs/dbraw/zinc/43/58/60/388435860.db2.gz JZWFJAQCUHCQKB-SECBINFHSA-N -1 0 227.377 3.074 20 0 BGADRM CCC[C@H](CC)N=c1[n-]nc(C(C)C)s1 ZINC000393647397 388436387 /nfs/dbraw/zinc/43/63/87/388436387.db2.gz JZWFJAQCUHCQKB-VIFPVBQESA-N -1 0 227.377 3.074 20 0 BGADRM Cc1ccc(F)c(-c2cc(C(=O)[O-])co2)c1 ZINC000393691655 711170174 /nfs/dbraw/zinc/17/01/74/711170174.db2.gz GNQPKHJSFATUKL-UHFFFAOYSA-N -1 0 220.199 3.092 20 0 BGADRM Cc1ccc(-c2cc(C(=O)[O-])co2)cc1F ZINC000393694501 711170701 /nfs/dbraw/zinc/17/07/01/711170701.db2.gz NIFSJQZVWXIYJG-UHFFFAOYSA-N -1 0 220.199 3.092 20 0 BGADRM Cc1cc(C)cc(-c2cc(C(=O)[O-])co2)c1 ZINC000393711050 357293487 /nfs/dbraw/zinc/29/34/87/357293487.db2.gz ZKAXWNCENHIYMO-UHFFFAOYSA-N -1 0 216.236 3.262 20 0 BGADRM CCc1cc(=O)n(-c2ccc(C)cc2Cl)[n-]1 ZINC000394529314 358942473 /nfs/dbraw/zinc/94/24/73/358942473.db2.gz WIENBFUVGRRWJB-UHFFFAOYSA-N -1 0 236.702 3.151 20 0 BGADRM CCC1(N=c2nc(C(C)C)[n-]s2)CCCC1 ZINC000394652164 410811317 /nfs/dbraw/zinc/81/13/17/410811317.db2.gz KEFCBBSLNQBCDV-UHFFFAOYSA-N -1 0 239.388 3.218 20 0 BGADRM Cc1cnc(-c2ccccc2C(=O)[O-])c(C)c1 ZINC000394725786 410819632 /nfs/dbraw/zinc/81/96/32/410819632.db2.gz ICKGOXUXPLSLAD-UHFFFAOYSA-N -1 0 227.263 3.064 20 0 BGADRM Cc1cnc(-c2cccc(C(=O)[O-])c2)c(C)c1 ZINC000394743193 357373238 /nfs/dbraw/zinc/37/32/38/357373238.db2.gz SZHZYLUOIUKDGK-UHFFFAOYSA-N -1 0 227.263 3.064 20 0 BGADRM Cc1cc(NC2CC(C)(C)C2)ccc1C(=O)[O-] ZINC000395144169 357419418 /nfs/dbraw/zinc/41/94/18/357419418.db2.gz APSYBTBYVYVAQO-UHFFFAOYSA-N -1 0 233.311 3.294 20 0 BGADRM Cc1cc(F)ccc1NCCC(C)(C)C(=O)[O-] ZINC000395608307 711212664 /nfs/dbraw/zinc/21/26/64/711212664.db2.gz FZYMKICFDUVDTP-UHFFFAOYSA-N -1 0 239.290 3.047 20 0 BGADRM Cc1cc(F)cc(NCCC(C)(C)C(=O)[O-])c1 ZINC000395633028 711214735 /nfs/dbraw/zinc/21/47/35/711214735.db2.gz OJPONRINJLHJMJ-UHFFFAOYSA-N -1 0 239.290 3.047 20 0 BGADRM Cc1ccc(NCCC(C)(C)C(=O)[O-])cc1F ZINC000395795443 711215943 /nfs/dbraw/zinc/21/59/43/711215943.db2.gz BFOTYLNCQGSDJI-UHFFFAOYSA-N -1 0 239.290 3.047 20 0 BGADRM Cc1ccc(F)c(NCCC(C)(C)C(=O)[O-])c1 ZINC000395798784 711215391 /nfs/dbraw/zinc/21/53/91/711215391.db2.gz DFOCDPWLBDKAEQ-UHFFFAOYSA-N -1 0 239.290 3.047 20 0 BGADRM Cc1oc(-c2cc(F)ccc2C)cc1C(=O)[O-] ZINC000396492582 711222698 /nfs/dbraw/zinc/22/26/98/711222698.db2.gz DECQAXCFDREQFS-UHFFFAOYSA-N -1 0 234.226 3.401 20 0 BGADRM C[C@@H]1CN(CCC(C)(C)C(=O)[O-])c2ccccc21 ZINC000398487686 711410529 /nfs/dbraw/zinc/41/05/29/711410529.db2.gz GXQCWMKIHFLQOI-LLVKDONJSA-N -1 0 247.338 3.111 20 0 BGADRM C[C@H]1CN(CCC(C)(C)C(=O)[O-])c2ccccc21 ZINC000398487689 711410455 /nfs/dbraw/zinc/41/04/55/711410455.db2.gz GXQCWMKIHFLQOI-NSHDSACASA-N -1 0 247.338 3.111 20 0 BGADRM CCCC[C@H](C(=O)[O-])N1C[C@@H](C)c2ccccc21 ZINC000398494261 599705973 /nfs/dbraw/zinc/70/59/73/599705973.db2.gz FOMFEEMIFHMCRG-BXUZGUMPSA-N -1 0 247.338 3.254 20 0 BGADRM CCCC[C@@H](C(=O)[O-])N1C[C@H](C)c2ccccc21 ZINC000398494264 599706258 /nfs/dbraw/zinc/70/62/58/599706258.db2.gz FOMFEEMIFHMCRG-FZMZJTMJSA-N -1 0 247.338 3.254 20 0 BGADRM CCCC[C@@H](C(=O)[O-])N1C[C@@H](C)c2ccccc21 ZINC000398494267 599706207 /nfs/dbraw/zinc/70/62/07/599706207.db2.gz FOMFEEMIFHMCRG-RISCZKNCSA-N -1 0 247.338 3.254 20 0 BGADRM CCCC[C@H](C(=O)[O-])N1C[C@H](C)c2ccccc21 ZINC000398494271 599705977 /nfs/dbraw/zinc/70/59/77/599705977.db2.gz FOMFEEMIFHMCRG-SMDDNHRTSA-N -1 0 247.338 3.254 20 0 BGADRM C[C@@H](n1[n-]c(-c2ccccc2)cc1=O)C(C)(C)C ZINC000400027889 385206917 /nfs/dbraw/zinc/20/69/17/385206917.db2.gz QTEYHUPKVNIRMR-LLVKDONJSA-N -1 0 244.338 3.058 20 0 BGADRM C[C@H](n1[n-]c(-c2ccccc2)cc1=O)C(C)(C)C ZINC000400027892 385207593 /nfs/dbraw/zinc/20/75/93/385207593.db2.gz QTEYHUPKVNIRMR-NSHDSACASA-N -1 0 244.338 3.058 20 0 BGADRM O=C(CCC1CC1)Nc1ccc(O)cc1Cl ZINC000400925640 345913603 /nfs/dbraw/zinc/91/36/03/345913603.db2.gz UQBUCUQIRBBFTH-UHFFFAOYSA-N -1 0 239.702 3.174 20 0 BGADRM CCC[C@@H](N=c1[n-]nc(C2CC2)o1)C1CCCC1 ZINC000413454659 191386127 /nfs/dbraw/zinc/38/61/27/191386127.db2.gz LSCLHHPGMPNWPD-GFCCVEGCSA-N -1 0 249.358 3.140 20 0 BGADRM CCC[C@H](N=c1[n-]nc(C2CC2)o1)C1CCCC1 ZINC000413454660 191385423 /nfs/dbraw/zinc/38/54/23/191385423.db2.gz LSCLHHPGMPNWPD-LBPRGKRZSA-N -1 0 249.358 3.140 20 0 BGADRM CC[C@@H](N=c1[n-]nc(C(C)C)o1)c1ccccc1 ZINC000413484149 191388000 /nfs/dbraw/zinc/38/80/00/191388000.db2.gz CMTFWICJUDYVSW-GFCCVEGCSA-N -1 0 245.326 3.178 20 0 BGADRM CC[C@H](N=c1[n-]nc(C(C)C)o1)c1ccccc1 ZINC000413492373 191388743 /nfs/dbraw/zinc/38/87/43/191388743.db2.gz CMTFWICJUDYVSW-LBPRGKRZSA-N -1 0 245.326 3.178 20 0 BGADRM C[C@@H]1C[C@H](Nc2cccc(CCC(=O)[O-])c2)[C@@H]1C ZINC000414652139 533970531 /nfs/dbraw/zinc/97/05/31/533970531.db2.gz GYARSWRRIZKZFG-GYSYKLTISA-N -1 0 247.338 3.160 20 0 BGADRM C[C@@H]1C[C@@H](Nc2cccc(CCC(=O)[O-])c2)[C@@H]1C ZINC000414652140 386073105 /nfs/dbraw/zinc/07/31/05/386073105.db2.gz GYARSWRRIZKZFG-JTNHKYCSSA-N -1 0 247.338 3.160 20 0 BGADRM C[C@@H]1C[C@H](Nc2cccc(CCC(=O)[O-])c2)[C@H]1C ZINC000414652141 386073519 /nfs/dbraw/zinc/07/35/19/386073519.db2.gz GYARSWRRIZKZFG-SUNKGSAMSA-N -1 0 247.338 3.160 20 0 BGADRM C[C@@H]1C[C@@H](Nc2cccc(CCC(=O)[O-])c2)[C@H]1C ZINC000414652142 386071806 /nfs/dbraw/zinc/07/18/06/386071806.db2.gz GYARSWRRIZKZFG-UHIISALHSA-N -1 0 247.338 3.160 20 0 BGADRM CC1(CNc2cccc(CCC(=O)[O-])c2)CCC1 ZINC000414660315 487816627 /nfs/dbraw/zinc/81/66/27/487816627.db2.gz PAYYTIXTMQXXTP-UHFFFAOYSA-N -1 0 247.338 3.306 20 0 BGADRM C[C@H](CC1CC1)Nc1cccc(CCC(=O)[O-])c1 ZINC000414666039 200757365 /nfs/dbraw/zinc/75/73/65/200757365.db2.gz UYHXKXWIDALGSH-LLVKDONJSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@@H](CC1CC1)Nc1cccc(CCC(=O)[O-])c1 ZINC000414666040 386116953 /nfs/dbraw/zinc/11/69/53/386116953.db2.gz UYHXKXWIDALGSH-NSHDSACASA-N -1 0 247.338 3.304 20 0 BGADRM CCC1CC(Nc2cccc(CCC(=O)[O-])c2)C1 ZINC000414668774 386121350 /nfs/dbraw/zinc/12/13/50/386121350.db2.gz XLXIYUOWNIXHMO-UHFFFAOYSA-N -1 0 247.338 3.304 20 0 BGADRM O=C([O-])Cc1cccc(NC[C@@H]2CC=CCC2)c1 ZINC000414671832 386141791 /nfs/dbraw/zinc/14/17/91/386141791.db2.gz BLGWGFYIECFDOL-GFCCVEGCSA-N -1 0 245.322 3.082 20 0 BGADRM O=C([O-])Cc1cccc(NC[C@H]2CC=CCC2)c1 ZINC000414671834 386141617 /nfs/dbraw/zinc/14/16/17/386141617.db2.gz BLGWGFYIECFDOL-LBPRGKRZSA-N -1 0 245.322 3.082 20 0 BGADRM O=C([O-])Cc1cccc(NCC2CCCCC2)c1 ZINC000414687784 386179100 /nfs/dbraw/zinc/17/91/00/386179100.db2.gz XNMAEOJINWHQKQ-UHFFFAOYSA-N -1 0 247.338 3.306 20 0 BGADRM O=C([O-])Cc1ccc(NC[C@@H]2CC=CCC2)cc1 ZINC000417592932 386418207 /nfs/dbraw/zinc/41/82/07/386418207.db2.gz USVGKFOJWQRUBN-CYBMUJFWSA-N -1 0 245.322 3.082 20 0 BGADRM O=C([O-])Cc1ccc(NC[C@H]2CC=CCC2)cc1 ZINC000417592934 386419782 /nfs/dbraw/zinc/41/97/82/386419782.db2.gz USVGKFOJWQRUBN-ZDUSSCGKSA-N -1 0 245.322 3.082 20 0 BGADRM C[C@@H](N=c1[n-]ncs1)c1ccc(C2CC2)cc1 ZINC000418996216 192096688 /nfs/dbraw/zinc/09/66/88/192096688.db2.gz DUPFVBGBIKSLBY-SECBINFHSA-N -1 0 245.351 3.011 20 0 BGADRM C[C@H](N=c1[n-]ncs1)c1ccc(C2CC2)cc1 ZINC000418996217 192096545 /nfs/dbraw/zinc/09/65/45/192096545.db2.gz DUPFVBGBIKSLBY-VIFPVBQESA-N -1 0 245.351 3.011 20 0 BGADRM C1=CC[C@@H](N=c2nc(C3CCCC3)[n-]s2)CC1 ZINC000420592479 192247942 /nfs/dbraw/zinc/24/79/42/192247942.db2.gz AVZQHPKGXJHMGV-LLVKDONJSA-N -1 0 249.383 3.138 20 0 BGADRM C1=CC[C@H](N=c2nc(C3CCCC3)[n-]s2)CC1 ZINC000420592483 192247498 /nfs/dbraw/zinc/24/74/98/192247498.db2.gz AVZQHPKGXJHMGV-NSHDSACASA-N -1 0 249.383 3.138 20 0 BGADRM CCC(CC)(CC)CN=c1[n-]nc(C(C)C)o1 ZINC000428424018 201016311 /nfs/dbraw/zinc/01/63/11/201016311.db2.gz WJOXPZZLPUIVSJ-UHFFFAOYSA-N -1 0 239.363 3.243 20 0 BGADRM CCCc1n[n-]c(=NCC(CC)(CC)CC)o1 ZINC000428424278 191055994 /nfs/dbraw/zinc/05/59/94/191055994.db2.gz XDKLWQLLXWDFOG-UHFFFAOYSA-N -1 0 239.363 3.072 20 0 BGADRM CCCC[C@@H](CC)CN=c1[n-]nc(C(F)F)o1 ZINC000432313661 387781292 /nfs/dbraw/zinc/78/12/92/387781292.db2.gz LBGNPTLTGJDSIY-MRVPVSSYSA-N -1 0 247.289 3.057 20 0 BGADRM CCCC[C@H](CC)CN=c1[n-]nc(C(F)F)o1 ZINC000432313662 192938881 /nfs/dbraw/zinc/93/88/81/192938881.db2.gz LBGNPTLTGJDSIY-QMMMGPOBSA-N -1 0 247.289 3.057 20 0 BGADRM CCCC[C@@H](CCC)N=c1[n-]nc(C(F)F)o1 ZINC000432329949 387782698 /nfs/dbraw/zinc/78/26/98/387782698.db2.gz VSYBLYQVBUTHNB-MRVPVSSYSA-N -1 0 247.289 3.200 20 0 BGADRM CCCC[C@H](CCC)N=c1[n-]nc(C(F)F)o1 ZINC000432329950 387783733 /nfs/dbraw/zinc/78/37/33/387783733.db2.gz VSYBLYQVBUTHNB-QMMMGPOBSA-N -1 0 247.289 3.200 20 0 BGADRM C[C@H](CCC(C)(C)C)N=c1[n-]nc(C(F)F)o1 ZINC000432330111 387782847 /nfs/dbraw/zinc/78/28/47/387782847.db2.gz XPVWTPYCQZUHLE-SSDOTTSWSA-N -1 0 247.289 3.056 20 0 BGADRM C[C@@H](CCC(C)(C)C)N=c1[n-]nc(C(F)F)o1 ZINC000432330112 192939494 /nfs/dbraw/zinc/93/94/94/192939494.db2.gz XPVWTPYCQZUHLE-ZETCQYMHSA-N -1 0 247.289 3.056 20 0 BGADRM CC(C)(C)CCCCN=c1[n-]nc(C(F)F)o1 ZINC000432334093 387783183 /nfs/dbraw/zinc/78/31/83/387783183.db2.gz IGPJVYHIXSCQCO-UHFFFAOYSA-N -1 0 247.289 3.057 20 0 BGADRM CC(C)CCC[C@@H](C)N=c1[n-]nc(C(F)F)o1 ZINC000432344587 192940597 /nfs/dbraw/zinc/94/05/97/192940597.db2.gz DLOKQDSVPBUMST-MRVPVSSYSA-N -1 0 247.289 3.056 20 0 BGADRM CC(C)CCC[C@H](C)N=c1[n-]nc(C(F)F)o1 ZINC000432344590 387782882 /nfs/dbraw/zinc/78/28/82/387782882.db2.gz DLOKQDSVPBUMST-QMMMGPOBSA-N -1 0 247.289 3.056 20 0 BGADRM CCc1nc(=Nc2ccc3ccoc3c2)s[n-]1 ZINC000443491410 193022377 /nfs/dbraw/zinc/02/23/77/193022377.db2.gz NFKRQMIAFIUWDM-UHFFFAOYSA-N -1 0 245.307 3.012 20 0 BGADRM Cc1ccc(NC(=O)CCCC(C)C)c(O)c1 ZINC000448572692 201325797 /nfs/dbraw/zinc/32/57/97/201325797.db2.gz KJXWRJQVNKIAQC-UHFFFAOYSA-N -1 0 235.327 3.465 20 0 BGADRM CC[C@H](CC(C)C)C(=O)Nc1ccccc1O ZINC000449157762 388150325 /nfs/dbraw/zinc/15/03/25/388150325.db2.gz RALKEVBETOWAKN-LLVKDONJSA-N -1 0 235.327 3.403 20 0 BGADRM CC[C@@H](CC(C)C)C(=O)Nc1ccccc1O ZINC000449157763 388150433 /nfs/dbraw/zinc/15/04/33/388150433.db2.gz RALKEVBETOWAKN-NSHDSACASA-N -1 0 235.327 3.403 20 0 BGADRM CC[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1O ZINC000449821420 202041486 /nfs/dbraw/zinc/04/14/86/202041486.db2.gz PZKOBKFNGHBCMA-VXNVDRBHSA-N -1 0 239.702 3.030 20 0 BGADRM CC[C@@H]1C[C@H]1C(=O)Nc1cccc(Cl)c1[O-] ZINC000449854112 202046691 /nfs/dbraw/zinc/04/66/91/202046691.db2.gz FCPCMIZOCNNTRW-HTQZYQBOSA-N -1 0 239.702 3.030 20 0 BGADRM Cc1ccccc1[C@@H](C)N=c1[n-]nc(C(C)C)o1 ZINC000450231419 202101809 /nfs/dbraw/zinc/10/18/09/202101809.db2.gz IKJLKJHQMYDYSN-LLVKDONJSA-N -1 0 245.326 3.096 20 0 BGADRM Cc1ccccc1[C@H](C)N=c1[n-]nc(C(C)C)o1 ZINC000450231421 202100635 /nfs/dbraw/zinc/10/06/35/202100635.db2.gz IKJLKJHQMYDYSN-NSHDSACASA-N -1 0 245.326 3.096 20 0 BGADRM Cc1ccc([C@@H](C)N=c2[n-]nc(C(C)C)o2)cc1 ZINC000450266000 201336024 /nfs/dbraw/zinc/33/60/24/201336024.db2.gz MWCSGDOUPSLWKM-LLVKDONJSA-N -1 0 245.326 3.096 20 0 BGADRM Cc1ccc([C@H](C)N=c2[n-]nc(C(C)C)o2)cc1 ZINC000450266001 201336228 /nfs/dbraw/zinc/33/62/28/201336228.db2.gz MWCSGDOUPSLWKM-NSHDSACASA-N -1 0 245.326 3.096 20 0 BGADRM CC(C)c1n[n-]c(=N[C@@H](C)CCC(C)(C)C)o1 ZINC000450339799 202134625 /nfs/dbraw/zinc/13/46/25/202134625.db2.gz BVRKRHKWSDQPSW-JTQLQIEISA-N -1 0 239.363 3.242 20 0 BGADRM CC(C)c1n[n-]c(=N[C@H](C)CCC(C)(C)C)o1 ZINC000450339800 202134985 /nfs/dbraw/zinc/13/49/85/202134985.db2.gz BVRKRHKWSDQPSW-SNVBAGLBSA-N -1 0 239.363 3.242 20 0 BGADRM CC(C)c1n[n-]c(=NCC(C)(C)C(C)(C)C)o1 ZINC000450539126 202191884 /nfs/dbraw/zinc/19/18/84/202191884.db2.gz JBNCXXCQGRGCFW-UHFFFAOYSA-N -1 0 239.363 3.099 20 0 BGADRM Cc1cccc(O)c1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC000450568060 202200832 /nfs/dbraw/zinc/20/08/32/202200832.db2.gz USFSTYYESONJOQ-VXGBXAGGSA-N -1 0 247.338 3.321 20 0 BGADRM CC(C)=CCC[C@@H](C)N=c1[n-]nc(C(C)C)o1 ZINC000450673075 202232024 /nfs/dbraw/zinc/23/20/24/202232024.db2.gz JFRTVEQYMPINNC-LLVKDONJSA-N -1 0 237.347 3.162 20 0 BGADRM CC(C)=CCC[C@H](C)N=c1[n-]nc(C(C)C)o1 ZINC000450673076 202233317 /nfs/dbraw/zinc/23/33/17/202233317.db2.gz JFRTVEQYMPINNC-NSHDSACASA-N -1 0 237.347 3.162 20 0 BGADRM Cc1cccc([C@@H](C)N=c2[n-]c(C(C)C)no2)c1 ZINC000450943719 202317419 /nfs/dbraw/zinc/31/74/19/202317419.db2.gz IQLYSYQOEVZDPV-LLVKDONJSA-N -1 0 245.326 3.096 20 0 BGADRM Cc1cccc([C@H](C)N=c2[n-]c(C(C)C)no2)c1 ZINC000450943720 202316385 /nfs/dbraw/zinc/31/63/85/202316385.db2.gz IQLYSYQOEVZDPV-NSHDSACASA-N -1 0 245.326 3.096 20 0 BGADRM CCc1nc(=N[C@@H](C)c2cccc(C)c2)s[n-]1 ZINC000450945403 202317520 /nfs/dbraw/zinc/31/75/20/202317520.db2.gz KYIQRBPWFDMCGX-JTQLQIEISA-N -1 0 247.367 3.004 20 0 BGADRM CCc1nc(=N[C@H](C)c2cccc(C)c2)s[n-]1 ZINC000450945404 202317074 /nfs/dbraw/zinc/31/70/74/202317074.db2.gz KYIQRBPWFDMCGX-SNVBAGLBSA-N -1 0 247.367 3.004 20 0 BGADRM Cc1cccc([C@@H](C)N=c2[n-]nc(C(C)C)o2)c1 ZINC000450945818 202316873 /nfs/dbraw/zinc/31/68/73/202316873.db2.gz LHQYELFDROCFMM-LLVKDONJSA-N -1 0 245.326 3.096 20 0 BGADRM Cc1cccc([C@H](C)N=c2[n-]nc(C(C)C)o2)c1 ZINC000450945819 202317661 /nfs/dbraw/zinc/31/76/61/202317661.db2.gz LHQYELFDROCFMM-NSHDSACASA-N -1 0 245.326 3.096 20 0 BGADRM CC(C)CCC(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457287037 203033144 /nfs/dbraw/zinc/03/31/44/203033144.db2.gz FYLZAMZUYSXHMR-UHFFFAOYSA-N -1 0 243.253 3.045 20 0 BGADRM CCC(CC)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457287701 386618216 /nfs/dbraw/zinc/61/82/16/386618216.db2.gz HAIZFTVGIPZASM-UHFFFAOYSA-N -1 0 243.253 3.045 20 0 BGADRM CCCCCC(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457291372 203035065 /nfs/dbraw/zinc/03/50/65/203035065.db2.gz KSZCNWCGAPFKMN-UHFFFAOYSA-N -1 0 243.253 3.189 20 0 BGADRM CC(C)(C)CC(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457294855 203035871 /nfs/dbraw/zinc/03/58/71/203035871.db2.gz NPFGFMQAELEEER-UHFFFAOYSA-N -1 0 243.253 3.045 20 0 BGADRM CCC[C@@H](C)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457294918 203035018 /nfs/dbraw/zinc/03/50/18/203035018.db2.gz NWDRSNCJWUSGCZ-SSDOTTSWSA-N -1 0 243.253 3.045 20 0 BGADRM CCC[C@H](C)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457294920 203034965 /nfs/dbraw/zinc/03/49/65/203034965.db2.gz NWDRSNCJWUSGCZ-ZETCQYMHSA-N -1 0 243.253 3.045 20 0 BGADRM CCC(C)(C)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457301850 203034652 /nfs/dbraw/zinc/03/46/52/203034652.db2.gz WNMVJQNGBUODBN-UHFFFAOYSA-N -1 0 243.253 3.045 20 0 BGADRM CC[C@@H](C)CC(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457303031 203035555 /nfs/dbraw/zinc/03/55/55/203035555.db2.gz XHHCOSQLSYKBTN-SSDOTTSWSA-N -1 0 243.253 3.045 20 0 BGADRM CC[C@H](C)CC(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457303032 386637174 /nfs/dbraw/zinc/63/71/74/386637174.db2.gz XHHCOSQLSYKBTN-ZETCQYMHSA-N -1 0 243.253 3.045 20 0 BGADRM CC(C)(C)C1CC(C(=O)Nc2ccccc2O)C1 ZINC000457450584 203064347 /nfs/dbraw/zinc/06/43/47/203064347.db2.gz HTUDNBNRQYVHSE-UHFFFAOYSA-N -1 0 247.338 3.403 20 0 BGADRM Oc1cc(F)cc(CN2CC3(C2)CCCCC3)c1 ZINC000459600822 203312825 /nfs/dbraw/zinc/31/28/25/203312825.db2.gz VRCASOMEZPNRBH-UHFFFAOYSA-N -1 0 249.329 3.297 20 0 BGADRM CCC1(C)CN(Cc2cccc(O)c2Cl)C1 ZINC000459629165 203323040 /nfs/dbraw/zinc/32/30/40/203323040.db2.gz DCHMNUAULVYTOS-UHFFFAOYSA-N -1 0 239.746 3.278 20 0 BGADRM CCCCCN=c1nc(-c2ccccc2)[n-]s1 ZINC000461460654 388260629 /nfs/dbraw/zinc/26/06/29/388260629.db2.gz OOYBFVDPWPEZGN-UHFFFAOYSA-N -1 0 247.367 3.229 20 0 BGADRM Cc1nc(=Nc2cccc(C3CCC3)c2)s[n-]1 ZINC000461868009 388262239 /nfs/dbraw/zinc/26/22/39/388262239.db2.gz XVXMAPCVOHTUSK-UHFFFAOYSA-N -1 0 245.351 3.280 20 0 BGADRM Cc1ccccc1/C=C\c1cc(C(=O)[O-])ccn1 ZINC000470262050 534795306 /nfs/dbraw/zinc/79/53/06/534795306.db2.gz ZPTCUYAPLSCZIM-SREVYHEPSA-N -1 0 239.274 3.259 20 0 BGADRM Cc1ccccc1/C=C/c1cc(C(=O)[O-])ccn1 ZINC000470262051 225055935 /nfs/dbraw/zinc/05/59/35/225055935.db2.gz ZPTCUYAPLSCZIM-VOTSOKGWSA-N -1 0 239.274 3.259 20 0 BGADRM O=C([O-])c1ccnc(/C=C\c2cccc(F)c2)c1 ZINC000470263420 225055472 /nfs/dbraw/zinc/05/54/72/225055472.db2.gz KZRIEPYXLLKJSP-PLNGDYQASA-N -1 0 243.237 3.089 20 0 BGADRM O=C([O-])c1ccnc(/C=C/c2cccc(F)c2)c1 ZINC000470263422 225055357 /nfs/dbraw/zinc/05/53/57/225055357.db2.gz KZRIEPYXLLKJSP-SNAWJCMRSA-N -1 0 243.237 3.089 20 0 BGADRM Cc1cccc(/C=C/c2cc(C(=O)[O-])ccn2)c1 ZINC000470264989 534575763 /nfs/dbraw/zinc/57/57/63/534575763.db2.gz CKGVEFUTAILTEZ-AATRIKPKSA-N -1 0 239.274 3.259 20 0 BGADRM Cc1cccc(/C=C\c2cc(C(=O)[O-])ccn2)c1 ZINC000470264990 534578184 /nfs/dbraw/zinc/57/81/84/534578184.db2.gz CKGVEFUTAILTEZ-WAYWQWQTSA-N -1 0 239.274 3.259 20 0 BGADRM Cc1nc(=Nc2ccc(C3CCC3)cc2)s[n-]1 ZINC000486474464 225264460 /nfs/dbraw/zinc/26/44/60/225264460.db2.gz XUJJBEMQAAABCG-UHFFFAOYSA-N -1 0 245.351 3.280 20 0 BGADRM C/C=C/C=C\C(=O)Nc1cccc(Cl)c1[O-] ZINC000492247180 527613185 /nfs/dbraw/zinc/61/31/85/527613185.db2.gz IAMSDHHZNPXASU-HOJFPOIOSA-N -1 0 237.686 3.116 20 0 BGADRM O=C(/C=C/C1CCCC1)Nc1cccc(O)c1F ZINC000493348929 226193263 /nfs/dbraw/zinc/19/32/63/226193263.db2.gz GVGCSZQZCNYZTH-CMDGGOBGSA-N -1 0 249.285 3.216 20 0 BGADRM O=C(/C=C\C1CCCC1)Nc1cccc(O)c1F ZINC000493348930 226192585 /nfs/dbraw/zinc/19/25/85/226192585.db2.gz GVGCSZQZCNYZTH-HJWRWDBZSA-N -1 0 249.285 3.216 20 0 BGADRM CC(C)(C)CN=c1nc(-c2ccccc2)[n-]s1 ZINC000504053155 527684733 /nfs/dbraw/zinc/68/47/33/527684733.db2.gz MZCOVPJJXUILHN-UHFFFAOYSA-N -1 0 247.367 3.085 20 0 BGADRM CC(C)CCN=c1[n-]nc(-c2ccccc2)s1 ZINC000514693137 387967071 /nfs/dbraw/zinc/96/70/71/387967071.db2.gz VWIVDTLPQMGGBA-UHFFFAOYSA-N -1 0 247.367 3.085 20 0 BGADRM Cc1cocc1-c1cc(C(=O)[O-])n(C(C)C)c1 ZINC000514734347 488032059 /nfs/dbraw/zinc/03/20/59/488032059.db2.gz BTEHBJNBQHDPCX-UHFFFAOYSA-N -1 0 233.267 3.336 20 0 BGADRM CCCC[C@@H](Sc1ccnc(C)c1)C(=O)[O-] ZINC000514949170 387312818 /nfs/dbraw/zinc/31/28/18/387312818.db2.gz ACFRFCPHBYQIMQ-LLVKDONJSA-N -1 0 239.340 3.126 20 0 BGADRM CCCC[C@H](Sc1ccnc(C)c1)C(=O)[O-] ZINC000514949174 387312236 /nfs/dbraw/zinc/31/22/36/387312236.db2.gz ACFRFCPHBYQIMQ-NSHDSACASA-N -1 0 239.340 3.126 20 0 BGADRM Cc1noc(C)c1-c1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000515671615 488086554 /nfs/dbraw/zinc/08/65/54/488086554.db2.gz PBNYWOOHYSRKQW-MRVPVSSYSA-N -1 0 245.278 3.147 20 0 BGADRM Cc1noc(C)c1-c1ccc([C@H](C)C(=O)[O-])cc1 ZINC000515671616 488086121 /nfs/dbraw/zinc/08/61/21/488086121.db2.gz PBNYWOOHYSRKQW-QMMMGPOBSA-N -1 0 245.278 3.147 20 0 BGADRM CC(C)C[C@@H](C)CNc1cccc(CC(=O)[O-])c1 ZINC000516422859 256776759 /nfs/dbraw/zinc/77/67/59/256776759.db2.gz QMPHZSNERVRYAK-GFCCVEGCSA-N -1 0 249.354 3.408 20 0 BGADRM CC(C)C[C@H](C)CNc1cccc(CC(=O)[O-])c1 ZINC000516422862 387506873 /nfs/dbraw/zinc/50/68/73/387506873.db2.gz QMPHZSNERVRYAK-LBPRGKRZSA-N -1 0 249.354 3.408 20 0 BGADRM O=C([O-])c1ccc(-c2cnc3occc3c2)cc1 ZINC000518381556 488144193 /nfs/dbraw/zinc/14/41/93/488144193.db2.gz WABWTXHIXPQUGI-UHFFFAOYSA-N -1 0 239.230 3.193 20 0 BGADRM Cc1noc(C)c1-c1cc(C(=O)[O-])n(C(C)C)c1 ZINC000519000997 488158535 /nfs/dbraw/zinc/15/85/35/488158535.db2.gz MCVAHCZTOAJMCN-UHFFFAOYSA-N -1 0 248.282 3.039 20 0 BGADRM CCCC[C@@H](Sc1ccncc1C)C(=O)[O-] ZINC000519558808 386491761 /nfs/dbraw/zinc/49/17/61/386491761.db2.gz VSVRJLTVDZYBLA-LLVKDONJSA-N -1 0 239.340 3.126 20 0 BGADRM CCCC[C@H](Sc1ccncc1C)C(=O)[O-] ZINC000519558821 386491682 /nfs/dbraw/zinc/49/16/82/386491682.db2.gz VSVRJLTVDZYBLA-NSHDSACASA-N -1 0 239.340 3.126 20 0 BGADRM C[C@@H]1CCCC[C@H]1Nc1cccc(CC(=O)[O-])c1 ZINC000519751309 386545357 /nfs/dbraw/zinc/54/53/57/386545357.db2.gz YXVDVYXLTPBENA-BXUZGUMPSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@H]1CCCC[C@@H]1Nc1cccc(CC(=O)[O-])c1 ZINC000519751318 386544480 /nfs/dbraw/zinc/54/44/80/386544480.db2.gz YXVDVYXLTPBENA-FZMZJTMJSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@@H]1CCCC[C@@H]1Nc1cccc(CC(=O)[O-])c1 ZINC000519751326 386544628 /nfs/dbraw/zinc/54/46/28/386544628.db2.gz YXVDVYXLTPBENA-RISCZKNCSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@H]1CCCC[C@H]1Nc1cccc(CC(=O)[O-])c1 ZINC000519751332 386544941 /nfs/dbraw/zinc/54/49/41/386544941.db2.gz YXVDVYXLTPBENA-SMDDNHRTSA-N -1 0 247.338 3.304 20 0 BGADRM CCc1cccc(C(=O)N(C)C(C)(C)CC)c1O ZINC000527480270 387575880 /nfs/dbraw/zinc/57/58/80/387575880.db2.gz KSFATIJWBLPDNQ-UHFFFAOYSA-N -1 0 249.354 3.215 20 0 BGADRM Cc1cccc([C@H](N=c2[n-]ncs2)C(C)C)c1 ZINC000528211314 387878993 /nfs/dbraw/zinc/87/89/93/387878993.db2.gz FSBUCDVXKGWCKG-GFCCVEGCSA-N -1 0 247.367 3.078 20 0 BGADRM Cc1cccc([C@@H](N=c2[n-]ncs2)C(C)C)c1 ZINC000528211321 387878480 /nfs/dbraw/zinc/87/84/80/387878480.db2.gz FSBUCDVXKGWCKG-LBPRGKRZSA-N -1 0 247.367 3.078 20 0 BGADRM CC[C@H](N=c1[n-]ncs1)c1cc(C)ccc1C ZINC000528224053 387882610 /nfs/dbraw/zinc/88/26/10/387882610.db2.gz QZFIRRNKEGZTDE-LBPRGKRZSA-N -1 0 247.367 3.140 20 0 BGADRM Cc1cocc1C(=O)Nc1c(C)noc1C1CC1 ZINC000529011015 324230888 /nfs/dbraw/zinc/23/08/88/324230888.db2.gz QUIJDAOGNFETNG-UHFFFAOYSA-N -1 0 246.266 3.014 20 0 BGADRM CCC(CC)CC(=O)Nc1ccc(F)cc1O ZINC000531755728 323112576 /nfs/dbraw/zinc/11/25/76/323112576.db2.gz ASEAMCHCBJHHTB-UHFFFAOYSA-N -1 0 239.290 3.296 20 0 BGADRM CCN(CCCCC(=O)[O-])c1cc(C)cc(C)c1 ZINC000543126400 325073281 /nfs/dbraw/zinc/07/32/81/325073281.db2.gz OJOJCXCFXKRDAX-UHFFFAOYSA-N -1 0 249.354 3.385 20 0 BGADRM CCN(CCCCC(=O)[O-])c1cc(C)ccc1C ZINC000544055519 325129231 /nfs/dbraw/zinc/12/92/31/325129231.db2.gz UHIWGHAABXDNBS-UHFFFAOYSA-N -1 0 249.354 3.385 20 0 BGADRM C/C(=C\c1cc(F)c([O-])c(F)c1)c1cnccn1 ZINC000547811696 388485515 /nfs/dbraw/zinc/48/55/15/388485515.db2.gz KJDXXOBTSMHRHY-XBXARRHUSA-N -1 0 248.232 3.021 20 0 BGADRM Cc1ccc(NC[C@@H]2CC=CCC2)cc1C(=O)[O-] ZINC000551056323 325547472 /nfs/dbraw/zinc/54/74/72/325547472.db2.gz HGZXYXFQHCZBCA-GFCCVEGCSA-N -1 0 245.322 3.461 20 0 BGADRM Cc1ccc(NC[C@H]2CC=CCC2)cc1C(=O)[O-] ZINC000551056328 388620117 /nfs/dbraw/zinc/62/01/17/388620117.db2.gz HGZXYXFQHCZBCA-LBPRGKRZSA-N -1 0 245.322 3.461 20 0 BGADRM CC(C)(C)C(C)(C)C(=O)Nc1ccccc1O ZINC000557465389 384956808 /nfs/dbraw/zinc/95/68/08/384956808.db2.gz MROVSAWFUDCYBS-UHFFFAOYSA-N -1 0 235.327 3.403 20 0 BGADRM CCC1CC(Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC000560927264 384413268 /nfs/dbraw/zinc/41/32/68/384413268.db2.gz DSEZXVIBNLJAFA-UHFFFAOYSA-N -1 0 233.311 3.294 20 0 BGADRM Cc1cc(N[C@H]2CC[C@H]2C2CC2)ccc1C(=O)[O-] ZINC000560927271 384413433 /nfs/dbraw/zinc/41/34/33/384413433.db2.gz GADYVUFEWKYYQT-KBPBESRZSA-N -1 0 245.322 3.294 20 0 BGADRM Cc1cc(N[C@H]2CC[C@@H]2C2CC2)ccc1C(=O)[O-] ZINC000560927272 322993567 /nfs/dbraw/zinc/99/35/67/322993567.db2.gz GADYVUFEWKYYQT-KGLIPLIRSA-N -1 0 245.322 3.294 20 0 BGADRM Cc1cc(N[C@@H]2CC[C@H]2C2CC2)ccc1C(=O)[O-] ZINC000560927273 384412576 /nfs/dbraw/zinc/41/25/76/384412576.db2.gz GADYVUFEWKYYQT-UONOGXRCSA-N -1 0 245.322 3.294 20 0 BGADRM Cc1cc(N[C@@H]2CC[C@@H]2C2CC2)ccc1C(=O)[O-] ZINC000560927275 384413567 /nfs/dbraw/zinc/41/35/67/384413567.db2.gz GADYVUFEWKYYQT-ZIAGYGMSSA-N -1 0 245.322 3.294 20 0 BGADRM Cc1cc(N[C@H]2CCC[C@H]3C[C@H]32)ccc1C(=O)[O-] ZINC000560927280 384413569 /nfs/dbraw/zinc/41/35/69/384413569.db2.gz GIISGNGFIDPURN-GDLCADMTSA-N -1 0 245.322 3.294 20 0 BGADRM Cc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)ccc1C(=O)[O-] ZINC000560927281 322993435 /nfs/dbraw/zinc/99/34/35/322993435.db2.gz GIISGNGFIDPURN-ZLKJLUDKSA-N -1 0 245.322 3.294 20 0 BGADRM CC[C@H](Nc1cccc(CC(=O)[O-])c1)C1CCC1 ZINC000560927604 322993454 /nfs/dbraw/zinc/99/34/54/322993454.db2.gz NKFYFGNVVOUKQV-AWEZNQCLSA-N -1 0 247.338 3.304 20 0 BGADRM CC[C@@H](Nc1cccc(CC(=O)[O-])c1)C1CCC1 ZINC000560927607 384413585 /nfs/dbraw/zinc/41/35/85/384413585.db2.gz NKFYFGNVVOUKQV-CQSZACIVSA-N -1 0 247.338 3.304 20 0 BGADRM CCC(CC)CNc1cccc(CC(=O)[O-])c1 ZINC000560928135 322993420 /nfs/dbraw/zinc/99/34/20/322993420.db2.gz XVJRGJTXRKHELR-UHFFFAOYSA-N -1 0 235.327 3.162 20 0 BGADRM CCC[C@H]1CCCC[C@H]1N=c1[n-]nc(C2CC2)o1 ZINC000561176610 384543741 /nfs/dbraw/zinc/54/37/41/384543741.db2.gz NDYZUKYPSYICPH-CMPLNLGQSA-N -1 0 249.358 3.140 20 0 BGADRM CCC[C@H]1CCCC[C@@H]1N=c1[n-]nc(C2CC2)o1 ZINC000561176612 384542607 /nfs/dbraw/zinc/54/26/07/384542607.db2.gz NDYZUKYPSYICPH-JQWIXIFHSA-N -1 0 249.358 3.140 20 0 BGADRM CCC[C@@H]1CCCC[C@@H]1N=c1[n-]nc(C2CC2)o1 ZINC000561176615 384544541 /nfs/dbraw/zinc/54/45/41/384544541.db2.gz NDYZUKYPSYICPH-PWSUYJOCSA-N -1 0 249.358 3.140 20 0 BGADRM CCC[C@@H]1CCCC[C@H]1N=c1[n-]nc(C2CC2)o1 ZINC000561176617 384544475 /nfs/dbraw/zinc/54/44/75/384544475.db2.gz NDYZUKYPSYICPH-ZYHUDNBSSA-N -1 0 249.358 3.140 20 0 BGADRM CCc1cccc(-c2cccc(C(=O)[O-])c2)n1 ZINC000563206846 323101931 /nfs/dbraw/zinc/10/19/31/323101931.db2.gz IZZSSCQJJWUBHI-UHFFFAOYSA-N -1 0 227.263 3.009 20 0 BGADRM Cc1cncc(-c2cc(C(=O)[O-])n(C(C)C)c2)c1 ZINC000563436226 323125417 /nfs/dbraw/zinc/12/54/17/323125417.db2.gz HWOFUGWXAFOKDO-UHFFFAOYSA-N -1 0 244.294 3.138 20 0 BGADRM Cc1noc(C)c1-c1cc(C(=O)[O-])c(C)cc1C ZINC000563438087 323125600 /nfs/dbraw/zinc/12/56/00/323125600.db2.gz NQFNETNQBFUSQN-UHFFFAOYSA-N -1 0 245.278 3.273 20 0 BGADRM Cc1cocc1-c1cccc(C2(C(=O)[O-])CC2)c1 ZINC000563821445 323179334 /nfs/dbraw/zinc/17/93/34/323179334.db2.gz JFWBPVOFFQWAKY-UHFFFAOYSA-N -1 0 242.274 3.371 20 0 BGADRM C[C@@H](Nc1cccc(CC(=O)[O-])c1)C1CCCC1 ZINC000564182645 324198431 /nfs/dbraw/zinc/19/84/31/324198431.db2.gz QKTMGHVGUYMXLR-LLVKDONJSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@H](Nc1cccc(CC(=O)[O-])c1)C1CCCC1 ZINC000564182656 324198161 /nfs/dbraw/zinc/19/81/61/324198161.db2.gz QKTMGHVGUYMXLR-NSHDSACASA-N -1 0 247.338 3.304 20 0 BGADRM Cc1oncc1-c1cccc(C(C)(C)C(=O)[O-])c1 ZINC000564739054 323016069 /nfs/dbraw/zinc/01/60/69/323016069.db2.gz ATHKUIXTTYWDLX-UHFFFAOYSA-N -1 0 245.278 3.012 20 0 BGADRM Cc1coc(-c2cc(C(=O)[O-])n(C(C)C)c2)c1 ZINC000564742150 388886402 /nfs/dbraw/zinc/88/64/02/388886402.db2.gz XCLSLWCVUGYVME-UHFFFAOYSA-N -1 0 233.267 3.336 20 0 BGADRM Cc1coc(-c2csc(CCC(=O)[O-])c2)c1 ZINC000565238553 388931236 /nfs/dbraw/zinc/93/12/36/388931236.db2.gz PHZKUOMCIDJTJN-UHFFFAOYSA-N -1 0 236.292 3.334 20 0 BGADRM Cc1noc(C)c1-c1cc(C)c(C(=O)[O-])cc1C ZINC000565373747 323101108 /nfs/dbraw/zinc/10/11/08/323101108.db2.gz YFAYOWPQLHUYEE-UHFFFAOYSA-N -1 0 245.278 3.273 20 0 BGADRM Cc1oncc1-c1ccccc1CCCC(=O)[O-] ZINC000565902994 388978516 /nfs/dbraw/zinc/97/85/16/388978516.db2.gz CRHCHBVWEODKJZ-UHFFFAOYSA-N -1 0 245.278 3.057 20 0 BGADRM Cc1cocc1-c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000565904158 388977894 /nfs/dbraw/zinc/97/78/94/388977894.db2.gz PHCQGORNKKSDFA-UHFFFAOYSA-N -1 0 242.274 3.371 20 0 BGADRM Cc1ccc(-c2ccccc2C2(C(=O)[O-])CC2)o1 ZINC000566021135 388984471 /nfs/dbraw/zinc/98/44/71/388984471.db2.gz NTWTUPJJTNXORV-UHFFFAOYSA-N -1 0 242.274 3.371 20 0 BGADRM COCc1ccccc1-c1cccc(C(=O)[O-])c1 ZINC000566290251 326029669 /nfs/dbraw/zinc/02/96/69/326029669.db2.gz DZRTZRMLAWOHGJ-UHFFFAOYSA-N -1 0 242.274 3.198 20 0 BGADRM Cc1ccc(-c2csc(CCC(=O)[O-])c2)o1 ZINC000566493238 326058223 /nfs/dbraw/zinc/05/82/23/326058223.db2.gz AOSKQNQEVFXOTB-UHFFFAOYSA-N -1 0 236.292 3.334 20 0 BGADRM CC(C)n1cc(-c2ccco2)cc1C(=O)[O-] ZINC000566493572 323002721 /nfs/dbraw/zinc/00/27/21/323002721.db2.gz AAQSLRHBENXFOT-UHFFFAOYSA-N -1 0 219.240 3.027 20 0 BGADRM O=C([O-])CCCc1ccc(-c2ccoc2)s1 ZINC000566494408 326057909 /nfs/dbraw/zinc/05/79/09/326057909.db2.gz PWZMMMYYWHSTGE-UHFFFAOYSA-N -1 0 236.292 3.415 20 0 BGADRM Cc1ccc(-c2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)o1 ZINC000566495257 326057956 /nfs/dbraw/zinc/05/79/56/326057956.db2.gz XQULIJXJAFZEJI-QWHCGFSZSA-N -1 0 242.274 3.443 20 0 BGADRM CC(C)c1n[n-]c(=NCC(C)(C)C2=CCCC2)o1 ZINC000566960815 326096956 /nfs/dbraw/zinc/09/69/56/326096956.db2.gz LLLSYZXLKUOXKV-UHFFFAOYSA-N -1 0 249.358 3.163 20 0 BGADRM Cc1cocc1-c1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000567250943 326150445 /nfs/dbraw/zinc/15/04/45/326150445.db2.gz ZFGHETZYBJPNFQ-QWHCGFSZSA-N -1 0 242.274 3.443 20 0 BGADRM CCc1cccc(-c2ccccc2C(=O)[O-])n1 ZINC000567275673 326154472 /nfs/dbraw/zinc/15/44/72/326154472.db2.gz XKVQTSWUEMHNIW-UHFFFAOYSA-N -1 0 227.263 3.009 20 0 BGADRM C[C@H](CCC1CC1)Nc1cccc(CC(=O)[O-])c1 ZINC000567709402 326249318 /nfs/dbraw/zinc/24/93/18/326249318.db2.gz BGBCYROIASZSRY-LLVKDONJSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@@H](CCC1CC1)Nc1cccc(CC(=O)[O-])c1 ZINC000567709403 326249331 /nfs/dbraw/zinc/24/93/31/326249331.db2.gz BGBCYROIASZSRY-NSHDSACASA-N -1 0 247.338 3.304 20 0 BGADRM O=C([O-])c1ccccc1-c1cncc(C(F)F)c1 ZINC000567979660 326290554 /nfs/dbraw/zinc/29/05/54/326290554.db2.gz WHWYTPUVPRFIGH-UHFFFAOYSA-N -1 0 249.216 3.384 20 0 BGADRM Cc1cocc1-c1ccc2c(c1)CC[C@H]2C(=O)[O-] ZINC000568265062 326337111 /nfs/dbraw/zinc/33/71/11/326337111.db2.gz LCMSPRXOPXFAPG-CYBMUJFWSA-N -1 0 242.274 3.369 20 0 BGADRM Cc1cocc1-c1ccc2c(c1)CC[C@@H]2C(=O)[O-] ZINC000568265063 326337236 /nfs/dbraw/zinc/33/72/36/326337236.db2.gz LCMSPRXOPXFAPG-ZDUSSCGKSA-N -1 0 242.274 3.369 20 0 BGADRM Cc1oncc1-c1ccccc1C(C)(C)C(=O)[O-] ZINC000568266179 326337583 /nfs/dbraw/zinc/33/75/83/326337583.db2.gz LSSGTTNBBHEDCL-UHFFFAOYSA-N -1 0 245.278 3.012 20 0 BGADRM Cc1oncc1-c1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000568266393 326337407 /nfs/dbraw/zinc/33/74/07/326337407.db2.gz SOGHMAPXFYQKBZ-SECBINFHSA-N -1 0 245.278 3.228 20 0 BGADRM Cc1oncc1-c1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000568266394 326337505 /nfs/dbraw/zinc/33/75/05/326337505.db2.gz SOGHMAPXFYQKBZ-VIFPVBQESA-N -1 0 245.278 3.228 20 0 BGADRM Cc1coc(-c2nc(C(=O)[O-])c(C3CC3)s2)c1 ZINC000568663755 326371827 /nfs/dbraw/zinc/37/18/27/326371827.db2.gz CLVJMMMNECPHRB-UHFFFAOYSA-N -1 0 249.291 3.287 20 0 BGADRM O=C([O-])Cc1cccc(NC2CC3(CCC3)C2)c1 ZINC000568727745 326373644 /nfs/dbraw/zinc/37/36/44/326373644.db2.gz ISSCQPNPPIBXCQ-UHFFFAOYSA-N -1 0 245.322 3.058 20 0 BGADRM Cc1ccc(-c2cc(C(=O)[O-])n(C(C)C)c2)o1 ZINC000569259573 326398398 /nfs/dbraw/zinc/39/83/98/326398398.db2.gz FLSGKMOPYSIEDA-UHFFFAOYSA-N -1 0 233.267 3.336 20 0 BGADRM Cc1coc(-c2ccc3c(c2)CC[C@H]3C(=O)[O-])c1 ZINC000569710134 323038145 /nfs/dbraw/zinc/03/81/45/323038145.db2.gz OBCPMQHIKWROEF-CYBMUJFWSA-N -1 0 242.274 3.369 20 0 BGADRM Cc1coc(-c2ccc3c(c2)CC[C@@H]3C(=O)[O-])c1 ZINC000569710135 323038115 /nfs/dbraw/zinc/03/81/15/323038115.db2.gz OBCPMQHIKWROEF-ZDUSSCGKSA-N -1 0 242.274 3.369 20 0 BGADRM Cc1coc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC000569941100 323045290 /nfs/dbraw/zinc/04/52/90/323045290.db2.gz ITVQEUBSZVSKSO-UHFFFAOYSA-N -1 0 242.274 3.371 20 0 BGADRM CCCC[C@H](Sc1cc(C)ccn1)C(=O)[O-] ZINC000569989049 323046671 /nfs/dbraw/zinc/04/66/71/323046671.db2.gz UYNWNWXFLSAUNP-JTQLQIEISA-N -1 0 239.340 3.126 20 0 BGADRM CCCC[C@@H](Sc1cc(C)ccn1)C(=O)[O-] ZINC000569989050 323046705 /nfs/dbraw/zinc/04/67/05/323046705.db2.gz UYNWNWXFLSAUNP-SNVBAGLBSA-N -1 0 239.340 3.126 20 0 BGADRM Cc1noc(C)c1-c1scc(C(=O)[O-])c1C ZINC000570176377 323052201 /nfs/dbraw/zinc/05/22/01/323052201.db2.gz MVIANJIXUOMOIO-UHFFFAOYSA-N -1 0 237.280 3.027 20 0 BGADRM CC(C)n1cc(-c2ccoc2)cc1C(=O)[O-] ZINC000570412058 323058995 /nfs/dbraw/zinc/05/89/95/323058995.db2.gz VDIZSPLXNKKGCJ-UHFFFAOYSA-N -1 0 219.240 3.027 20 0 BGADRM Cc1noc(C)c1-c1cc(C(=O)[O-])sc1C ZINC000570816311 323071524 /nfs/dbraw/zinc/07/15/24/323071524.db2.gz LSFYJAIHUQMJJZ-UHFFFAOYSA-N -1 0 237.280 3.027 20 0 BGADRM CCn1cc(-c2sccc2C)cc1C(=O)[O-] ZINC000570827119 323071987 /nfs/dbraw/zinc/07/19/87/323071987.db2.gz JNROPQGVUVGIQL-UHFFFAOYSA-N -1 0 235.308 3.243 20 0 BGADRM O=C([O-])C1(c2ccc(-c3ccoc3)cc2)CCC1 ZINC000571463934 323145527 /nfs/dbraw/zinc/14/55/27/323145527.db2.gz MLXQMRJAYAQPBD-UHFFFAOYSA-N -1 0 242.274 3.453 20 0 BGADRM Cc1noc(C)c1-c1ccc(C)c(C(=O)[O-])c1C ZINC000572179776 387257133 /nfs/dbraw/zinc/25/71/33/387257133.db2.gz CFZDYJPKGLWYNR-UHFFFAOYSA-N -1 0 245.278 3.273 20 0 BGADRM CC1(C)CC[C@@H](Nc2cccc(CC(=O)[O-])c2)C1 ZINC000572583015 326182415 /nfs/dbraw/zinc/18/24/15/326182415.db2.gz FNHDZVRRQZKTSU-CYBMUJFWSA-N -1 0 247.338 3.304 20 0 BGADRM CC1(C)CC[C@H](Nc2cccc(CC(=O)[O-])c2)C1 ZINC000572583016 326182171 /nfs/dbraw/zinc/18/21/71/326182171.db2.gz FNHDZVRRQZKTSU-ZDUSSCGKSA-N -1 0 247.338 3.304 20 0 BGADRM O=C([O-])C1(Cc2ccccc2-c2ccoc2)CC1 ZINC000572663552 388364517 /nfs/dbraw/zinc/36/45/17/388364517.db2.gz RQRNXELZZGNNFC-UHFFFAOYSA-N -1 0 242.274 3.354 20 0 BGADRM O=C([O-])C1(Cc2ccccc2-c2ccco2)CC1 ZINC000572976049 326422440 /nfs/dbraw/zinc/42/24/40/326422440.db2.gz KLLJZZVXCYYVAL-UHFFFAOYSA-N -1 0 242.274 3.354 20 0 BGADRM CC(C)CCCNc1cccc(CC(=O)[O-])c1 ZINC000574501224 365075412 /nfs/dbraw/zinc/07/54/12/365075412.db2.gz CONKWDFOPPKAJZ-UHFFFAOYSA-N -1 0 235.327 3.162 20 0 BGADRM CC(C)n1cc(-c2ccsc2)cc1C(=O)[O-] ZINC000574652128 365115476 /nfs/dbraw/zinc/11/54/76/365115476.db2.gz MCSLLTVJBCUUNY-UHFFFAOYSA-N -1 0 235.308 3.496 20 0 BGADRM Cc1ccc(-c2ccc3c(c2)CC[C@H]3C(=O)[O-])o1 ZINC000574927435 346415843 /nfs/dbraw/zinc/41/58/43/346415843.db2.gz JGDRQQSUIQPHMP-CYBMUJFWSA-N -1 0 242.274 3.369 20 0 BGADRM Cc1ccc(-c2ccc3c(c2)CC[C@@H]3C(=O)[O-])o1 ZINC000574927436 346415780 /nfs/dbraw/zinc/41/57/80/346415780.db2.gz JGDRQQSUIQPHMP-ZDUSSCGKSA-N -1 0 242.274 3.369 20 0 BGADRM CC(C)c1noc(=NCCCCC(C)(C)C)[n-]1 ZINC000575093417 365196387 /nfs/dbraw/zinc/19/63/87/365196387.db2.gz SFFXDARBZKFONT-UHFFFAOYSA-N -1 0 239.363 3.243 20 0 BGADRM O=C([O-])c1cccc(-c2cnc3occc3c2)c1 ZINC000575185367 365233406 /nfs/dbraw/zinc/23/34/06/365233406.db2.gz XJHQEQYCEIFWCV-UHFFFAOYSA-N -1 0 239.230 3.193 20 0 BGADRM CC[C@H]1CC[C@@H]1Nc1ccc(C(=O)[O-])c(C)c1 ZINC000576089601 365480081 /nfs/dbraw/zinc/48/00/81/365480081.db2.gz FGDWSHGOVMIYPQ-GWCFXTLKSA-N -1 0 233.311 3.294 20 0 BGADRM CC[C@H]1CC[C@H]1Nc1ccc(C(=O)[O-])c(C)c1 ZINC000576089602 343703611 /nfs/dbraw/zinc/70/36/11/343703611.db2.gz FGDWSHGOVMIYPQ-GXFFZTMASA-N -1 0 233.311 3.294 20 0 BGADRM CC[C@@H]1CC[C@@H]1Nc1ccc(C(=O)[O-])c(C)c1 ZINC000576089603 343703958 /nfs/dbraw/zinc/70/39/58/343703958.db2.gz FGDWSHGOVMIYPQ-MFKMUULPSA-N -1 0 233.311 3.294 20 0 BGADRM CC[C@@H]1CC[C@H]1Nc1ccc(C(=O)[O-])c(C)c1 ZINC000576089604 343703768 /nfs/dbraw/zinc/70/37/68/343703768.db2.gz FGDWSHGOVMIYPQ-ZWNOBZJWSA-N -1 0 233.311 3.294 20 0 BGADRM C[C@H](Nc1cccc(CC(=O)[O-])c1)[C@@H]1CC1(C)C ZINC000576089605 343703631 /nfs/dbraw/zinc/70/36/31/343703631.db2.gz FHZNUONXYGKVLK-GWCFXTLKSA-N -1 0 247.338 3.160 20 0 BGADRM C[C@H](Nc1cccc(CC(=O)[O-])c1)[C@H]1CC1(C)C ZINC000576089606 343703959 /nfs/dbraw/zinc/70/39/59/343703959.db2.gz FHZNUONXYGKVLK-GXFFZTMASA-N -1 0 247.338 3.160 20 0 BGADRM C[C@@H](Nc1cccc(CC(=O)[O-])c1)[C@@H]1CC1(C)C ZINC000576089607 343703870 /nfs/dbraw/zinc/70/38/70/343703870.db2.gz FHZNUONXYGKVLK-MFKMUULPSA-N -1 0 247.338 3.160 20 0 BGADRM C[C@@H](Nc1cccc(CC(=O)[O-])c1)[C@H]1CC1(C)C ZINC000576089608 343703697 /nfs/dbraw/zinc/70/36/97/343703697.db2.gz FHZNUONXYGKVLK-ZWNOBZJWSA-N -1 0 247.338 3.160 20 0 BGADRM C1=C(CCN=c2[n-]nc(C3CC3)o2)CCCCC1 ZINC000576180690 365514131 /nfs/dbraw/zinc/51/41/31/365514131.db2.gz LMPQIRMQWICMGK-UHFFFAOYSA-N -1 0 247.342 3.061 20 0 BGADRM Cc1cscc1-c1ccccc1C(=O)[O-] ZINC000576402346 365586450 /nfs/dbraw/zinc/58/64/50/365586450.db2.gz FEJJXBYZASEIJM-UHFFFAOYSA-N -1 0 218.277 3.422 20 0 BGADRM Cc1noc(C)c1-c1cccc([C@@H](C)C(=O)[O-])c1 ZINC000576767824 365682563 /nfs/dbraw/zinc/68/25/63/365682563.db2.gz HIZMJYPAYIEEMU-MRVPVSSYSA-N -1 0 245.278 3.147 20 0 BGADRM Cc1noc(C)c1-c1cccc([C@H](C)C(=O)[O-])c1 ZINC000576767825 365682336 /nfs/dbraw/zinc/68/23/36/365682336.db2.gz HIZMJYPAYIEEMU-QMMMGPOBSA-N -1 0 245.278 3.147 20 0 BGADRM Cc1cocc1-c1csc(CCC(=O)[O-])c1 ZINC000577005723 365754057 /nfs/dbraw/zinc/75/40/57/365754057.db2.gz DMFUCVUHPFJMCO-UHFFFAOYSA-N -1 0 236.292 3.334 20 0 BGADRM Cc1coc(-c2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC000577077668 365806199 /nfs/dbraw/zinc/80/61/99/365806199.db2.gz MKAZLJSYLBSURA-QWHCGFSZSA-N -1 0 242.274 3.443 20 0 BGADRM Cc1noc(C)c1-c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000577510123 365974779 /nfs/dbraw/zinc/97/47/79/365974779.db2.gz WJKWKBPIMOJICW-UHFFFAOYSA-N -1 0 245.278 3.273 20 0 BGADRM C[C@@H]1CCCN(CCCC(=O)[O-])c2ccccc21 ZINC000578099875 366248352 /nfs/dbraw/zinc/24/83/52/366248352.db2.gz MPLLVPHEHWLNLL-GFCCVEGCSA-N -1 0 247.338 3.255 20 0 BGADRM C[C@H]1CCCN(CCCC(=O)[O-])c2ccccc21 ZINC000578099876 366248631 /nfs/dbraw/zinc/24/86/31/366248631.db2.gz MPLLVPHEHWLNLL-LBPRGKRZSA-N -1 0 247.338 3.255 20 0 BGADRM O=C([O-])C1(c2ccc(-c3ccco3)cc2)CCC1 ZINC000578379914 366546323 /nfs/dbraw/zinc/54/63/23/366546323.db2.gz JYUATFJLKYKHLF-UHFFFAOYSA-N -1 0 242.274 3.453 20 0 BGADRM CC(C)C1CC(Nc2cccc(CC(=O)[O-])c2)C1 ZINC000578976596 366684114 /nfs/dbraw/zinc/68/41/14/366684114.db2.gz QAZWNXRKNRKLLB-UHFFFAOYSA-N -1 0 247.338 3.160 20 0 BGADRM Cc1cc(NC2CC3(CCC3)C2)ccc1C(=O)[O-] ZINC000579092656 366707979 /nfs/dbraw/zinc/70/79/79/366707979.db2.gz DMHNMLBFVRKMGX-UHFFFAOYSA-N -1 0 245.322 3.438 20 0 BGADRM CCCC[C@H](Sc1cccc(C)n1)C(=O)[O-] ZINC000579613330 366909085 /nfs/dbraw/zinc/90/90/85/366909085.db2.gz LTCMFRDMOPNFGS-JTQLQIEISA-N -1 0 239.340 3.126 20 0 BGADRM CCCC[C@@H](Sc1cccc(C)n1)C(=O)[O-] ZINC000579613331 366909265 /nfs/dbraw/zinc/90/92/65/366909265.db2.gz LTCMFRDMOPNFGS-SNVBAGLBSA-N -1 0 239.340 3.126 20 0 BGADRM CC[C@@H](Nc1cccc(CC(=O)[O-])c1)C(C)C ZINC000579686741 366978308 /nfs/dbraw/zinc/97/83/08/366978308.db2.gz FKEUXVKCVDBNGW-CYBMUJFWSA-N -1 0 235.327 3.160 20 0 BGADRM CC[C@H](Nc1cccc(CC(=O)[O-])c1)C(C)C ZINC000579686742 366978580 /nfs/dbraw/zinc/97/85/80/366978580.db2.gz FKEUXVKCVDBNGW-ZDUSSCGKSA-N -1 0 235.327 3.160 20 0 BGADRM Cc1cccc2c1N(CCCCCC(=O)[O-])CC2 ZINC000579720539 366991892 /nfs/dbraw/zinc/99/18/92/366991892.db2.gz ORNNMNHIKYKKAK-UHFFFAOYSA-N -1 0 247.338 3.003 20 0 BGADRM Cc1oncc1-c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000580217068 346704746 /nfs/dbraw/zinc/70/47/46/346704746.db2.gz RILSBKXBVVFIPI-UHFFFAOYSA-N -1 0 245.278 3.012 20 0 BGADRM Cc1cocc1-c1nc(C(=O)[O-])c(C2CC2)s1 ZINC000580466428 359571082 /nfs/dbraw/zinc/57/10/82/359571082.db2.gz AMSOVGBIQNKLMP-UHFFFAOYSA-N -1 0 249.291 3.287 20 0 BGADRM CCN(CCC(C)(C)CC(=O)[O-])c1ccccc1 ZINC000580653462 365846747 /nfs/dbraw/zinc/84/67/47/365846747.db2.gz TVFFNXZXZPMFLF-UHFFFAOYSA-N -1 0 249.354 3.404 20 0 BGADRM O=C([O-])c1ccc(-c2cncc(C(F)F)c2)cc1 ZINC000581729471 367794133 /nfs/dbraw/zinc/79/41/33/367794133.db2.gz YSVZNEKWQPIJMF-UHFFFAOYSA-N -1 0 249.216 3.384 20 0 BGADRM CC1CCC(Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000581773449 367824883 /nfs/dbraw/zinc/82/48/83/367824883.db2.gz ZQIDJNUFVCPPDJ-UHFFFAOYSA-N -1 0 247.338 3.304 20 0 BGADRM CC(C)[C@@H]1CC[C@@H]1Nc1cccc(CC(=O)[O-])c1 ZINC000582109589 347291158 /nfs/dbraw/zinc/29/11/58/347291158.db2.gz MCAGUKYMBGDLJI-KBPBESRZSA-N -1 0 247.338 3.160 20 0 BGADRM CC(C)[C@H]1CC[C@@H]1Nc1cccc(CC(=O)[O-])c1 ZINC000582109590 347291337 /nfs/dbraw/zinc/29/13/37/347291337.db2.gz MCAGUKYMBGDLJI-KGLIPLIRSA-N -1 0 247.338 3.160 20 0 BGADRM CC(C)[C@@H]1CC[C@H]1Nc1cccc(CC(=O)[O-])c1 ZINC000582109591 347291172 /nfs/dbraw/zinc/29/11/72/347291172.db2.gz MCAGUKYMBGDLJI-UONOGXRCSA-N -1 0 247.338 3.160 20 0 BGADRM CC(C)[C@H]1CC[C@H]1Nc1cccc(CC(=O)[O-])c1 ZINC000582109592 347291126 /nfs/dbraw/zinc/29/11/26/347291126.db2.gz MCAGUKYMBGDLJI-ZIAGYGMSSA-N -1 0 247.338 3.160 20 0 BGADRM CCCC[C@@H](C)Nc1cccc(CC(=O)[O-])c1 ZINC000582228901 355991955 /nfs/dbraw/zinc/99/19/55/355991955.db2.gz QBFDZCPVQAIAHN-LLVKDONJSA-N -1 0 235.327 3.304 20 0 BGADRM CCCC[C@H](C)Nc1cccc(CC(=O)[O-])c1 ZINC000582228902 355992490 /nfs/dbraw/zinc/99/24/90/355992490.db2.gz QBFDZCPVQAIAHN-NSHDSACASA-N -1 0 235.327 3.304 20 0 BGADRM Cc1oncc1-c1sc(C)c(C)c1C(=O)[O-] ZINC000582498054 357327648 /nfs/dbraw/zinc/32/76/48/357327648.db2.gz JFQBRAVTGULRKE-UHFFFAOYSA-N -1 0 237.280 3.027 20 0 BGADRM CC1(C)CCC[C@H]1Nc1cccc(CC(=O)[O-])c1 ZINC000582533849 357336610 /nfs/dbraw/zinc/33/66/10/357336610.db2.gz QFYLVLFMJFRMNW-CYBMUJFWSA-N -1 0 247.338 3.304 20 0 BGADRM CC1(C)CCC[C@@H]1Nc1cccc(CC(=O)[O-])c1 ZINC000582533850 357336535 /nfs/dbraw/zinc/33/65/35/357336535.db2.gz QFYLVLFMJFRMNW-ZDUSSCGKSA-N -1 0 247.338 3.304 20 0 BGADRM Cc1ccc(-c2cccc(C3(C(=O)[O-])CC3)c2)o1 ZINC000582796617 357398477 /nfs/dbraw/zinc/39/84/77/357398477.db2.gz HFVMVXWTSUPHQD-UHFFFAOYSA-N -1 0 242.274 3.371 20 0 BGADRM CCc1nc(SCC=C(C)C)[nH]c(=O)c1C ZINC000583642270 355948070 /nfs/dbraw/zinc/94/80/70/355948070.db2.gz VAWDSUZLUBBBHZ-UHFFFAOYSA-N -1 0 238.356 3.111 20 0 BGADRM CCn1cc(-c2csc(C)c2)cc1C(=O)[O-] ZINC000583642271 355948064 /nfs/dbraw/zinc/94/80/64/355948064.db2.gz VBVOZJHWYRVQDY-UHFFFAOYSA-N -1 0 235.308 3.243 20 0 BGADRM Cc1ccc(-c2cccc([C@@H]3C[C@H]3C(=O)[O-])c2)o1 ZINC000584064266 343313197 /nfs/dbraw/zinc/31/31/97/343313197.db2.gz UYYBTKJNLQENAO-QWHCGFSZSA-N -1 0 242.274 3.443 20 0 BGADRM CC(C)(C)CCNc1cccc(CC(=O)[O-])c1 ZINC000584517105 358028866 /nfs/dbraw/zinc/02/88/66/358028866.db2.gz BNVBFFZDMZPUTP-UHFFFAOYSA-N -1 0 235.327 3.162 20 0 BGADRM Cc1coc(-c2cccc(C3(C(=O)[O-])CC3)c2)c1 ZINC000584850783 358209545 /nfs/dbraw/zinc/20/95/45/358209545.db2.gz RCJMNMSOPGADDH-UHFFFAOYSA-N -1 0 242.274 3.371 20 0 BGADRM CC(C)CCCN=c1[n-]c(-c2ccccc2)no1 ZINC000588160146 346638522 /nfs/dbraw/zinc/63/85/22/346638522.db2.gz IZKBENGRIZHFFI-UHFFFAOYSA-N -1 0 245.326 3.007 20 0 BGADRM CC(C)(C)CCN=c1[n-]c(-c2ccccc2)no1 ZINC000588160612 346638484 /nfs/dbraw/zinc/63/84/84/346638484.db2.gz DUDUIFBBBNZREU-UHFFFAOYSA-N -1 0 245.326 3.007 20 0 BGADRM CC[C@@H](N=c1[n-]c(-c2ccccc2)no1)C(C)C ZINC000588161944 346638948 /nfs/dbraw/zinc/63/89/48/346638948.db2.gz LQMUPQJJLKWVST-GFCCVEGCSA-N -1 0 245.326 3.005 20 0 BGADRM CC[C@H](N=c1[n-]c(-c2ccccc2)no1)C(C)C ZINC000588161945 346639083 /nfs/dbraw/zinc/63/90/83/346639083.db2.gz LQMUPQJJLKWVST-LBPRGKRZSA-N -1 0 245.326 3.005 20 0 BGADRM CCC[C@@H](CC)N=c1[n-]c(-c2ccccc2)no1 ZINC000588162331 346638590 /nfs/dbraw/zinc/63/85/90/346638590.db2.gz UFHHQDVGYDRZLL-GFCCVEGCSA-N -1 0 245.326 3.149 20 0 BGADRM CCC[C@H](CC)N=c1[n-]c(-c2ccccc2)no1 ZINC000588162332 346638707 /nfs/dbraw/zinc/63/87/07/346638707.db2.gz UFHHQDVGYDRZLL-LBPRGKRZSA-N -1 0 245.326 3.149 20 0 BGADRM CCC(CC)CN=c1[n-]c(-c2ccccc2)no1 ZINC000591372237 347648888 /nfs/dbraw/zinc/64/88/88/347648888.db2.gz YQJWWFOTSDPBQH-UHFFFAOYSA-N -1 0 245.326 3.007 20 0 BGADRM O=C(Nc1c(O)cccc1F)C1CCCCC1 ZINC000605439053 344011006 /nfs/dbraw/zinc/01/10/06/344011006.db2.gz UQBKMJJCTYVHPR-UHFFFAOYSA-N -1 0 237.274 3.050 20 0 BGADRM Cc1ccccc1C(=O)Nc1c(O)cccc1F ZINC000605439313 344011072 /nfs/dbraw/zinc/01/10/72/344011072.db2.gz HFZLCGJXHYFEGL-UHFFFAOYSA-N -1 0 245.253 3.092 20 0 BGADRM O=C(CC1CCCC1)Nc1c(O)cccc1F ZINC000605440072 344011060 /nfs/dbraw/zinc/01/10/60/344011060.db2.gz JMILDKCAMQHTFL-UHFFFAOYSA-N -1 0 237.274 3.050 20 0 BGADRM CCCCc1cc(=O)n(-c2cccc(C)c2)[nH]1 ZINC000607716318 490214604 /nfs/dbraw/zinc/21/46/04/490214604.db2.gz OIILRTAHLDINME-UHFFFAOYSA-N -1 0 230.311 3.278 20 0 BGADRM CCCCc1cc(=O)n(-c2ccc(C)cc2)[nH]1 ZINC000607716320 490214631 /nfs/dbraw/zinc/21/46/31/490214631.db2.gz OWEMQHZAHOQFEE-UHFFFAOYSA-N -1 0 230.311 3.278 20 0 BGADRM O=C([O-])N1CCC[C@@H]1c1ccccc1Cl ZINC000616606670 350798381 /nfs/dbraw/zinc/79/83/81/350798381.db2.gz HQQQLWXYSOAMRG-SNVBAGLBSA-N -1 0 225.675 3.155 20 0 BGADRM O=C([O-])N1CCC[C@H]1c1ccccc1Cl ZINC000616606671 350798443 /nfs/dbraw/zinc/79/84/43/350798443.db2.gz HQQQLWXYSOAMRG-JTQLQIEISA-N -1 0 225.675 3.155 20 0 BGADRM O=C([O-])N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000616607154 350800143 /nfs/dbraw/zinc/80/01/43/350800143.db2.gz MWOGUDGQMICHGJ-JTQLQIEISA-N -1 0 225.675 3.155 20 0 BGADRM O=C([O-])N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000616607239 350800020 /nfs/dbraw/zinc/80/00/20/350800020.db2.gz MWOGUDGQMICHGJ-SNVBAGLBSA-N -1 0 225.675 3.155 20 0 BGADRM O=C([O-])N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000616612216 349478746 /nfs/dbraw/zinc/47/87/46/349478746.db2.gz IBCWWODXFGKZJS-LLVKDONJSA-N -1 0 223.247 3.031 20 0 BGADRM O=C([O-])N1CCCC[C@H]1c1ccc(F)cc1 ZINC000616616550 350855968 /nfs/dbraw/zinc/85/59/68/350855968.db2.gz IBCWWODXFGKZJS-NSHDSACASA-N -1 0 223.247 3.031 20 0 BGADRM CCc1cccc(C(=O)N(CC)[C@H](C)CC)c1O ZINC000616978683 347561394 /nfs/dbraw/zinc/56/13/94/347561394.db2.gz CYVZZWMUNZHTDO-LLVKDONJSA-N -1 0 249.354 3.215 20 0 BGADRM CCc1cccc(C(=O)N(CC)[C@@H](C)CC)c1O ZINC000616978684 347561207 /nfs/dbraw/zinc/56/12/07/347561207.db2.gz CYVZZWMUNZHTDO-NSHDSACASA-N -1 0 249.354 3.215 20 0 BGADRM CC(C)(C)CN=c1[n-]nc(-c2ccccc2)s1 ZINC000619537204 369467266 /nfs/dbraw/zinc/46/72/66/369467266.db2.gz LTYSTVUSQXNZNU-UHFFFAOYSA-N -1 0 247.367 3.085 20 0 BGADRM CCc1cccc(C(=O)NCCC(C)(C)C)c1O ZINC000622306134 370834750 /nfs/dbraw/zinc/83/47/50/370834750.db2.gz NOSYZXIAAHAYLI-UHFFFAOYSA-N -1 0 249.354 3.121 20 0 BGADRM CC[C@@H](C)CNc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC000623777221 371088316 /nfs/dbraw/zinc/08/83/16/371088316.db2.gz VFNWQTLYWFFQIU-LLVKDONJSA-N -1 0 245.326 3.036 20 0 BGADRM CC[C@H](C)CNc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC000623777222 371087793 /nfs/dbraw/zinc/08/77/93/371087793.db2.gz VFNWQTLYWFFQIU-NSHDSACASA-N -1 0 245.326 3.036 20 0 BGADRM CC[C@@H](C)CN(CC)C(=O)c1c(C)cccc1O ZINC000625985405 344651177 /nfs/dbraw/zinc/65/11/77/344651177.db2.gz NHOUBXSGAJROIM-LLVKDONJSA-N -1 0 249.354 3.209 20 0 BGADRM CC[C@H](C)CN(CC)C(=O)c1c(C)cccc1O ZINC000625985406 344651272 /nfs/dbraw/zinc/65/12/72/344651272.db2.gz NHOUBXSGAJROIM-NSHDSACASA-N -1 0 249.354 3.209 20 0 BGADRM CCC[C@@H](C)CCCSc1n[n-]c(=N)s1 ZINC000629087817 360873888 /nfs/dbraw/zinc/87/38/88/360873888.db2.gz BKVMCEPONMNCPW-MRVPVSSYSA-N -1 0 245.417 3.259 20 0 BGADRM CCC[C@H](C)CCCSc1n[n-]c(=N)s1 ZINC000629087820 360873890 /nfs/dbraw/zinc/87/38/90/360873890.db2.gz BKVMCEPONMNCPW-QMMMGPOBSA-N -1 0 245.417 3.259 20 0 BGADRM CCc1ccccc1-n1[n-]c2c(c1=O)CCCC2 ZINC000629942752 361783677 /nfs/dbraw/zinc/78/36/77/361783677.db2.gz VHFQMHOCGIHBHG-GFCCVEGCSA-N -1 0 242.322 3.142 20 0 BGADRM CCc1ccccc1-n1[n-]c2c(c1=O)CCCC2 ZINC000629942753 361783419 /nfs/dbraw/zinc/78/34/19/361783419.db2.gz VHFQMHOCGIHBHG-LBPRGKRZSA-N -1 0 242.322 3.142 20 0 BGADRM CC[C@H](C)c1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000630230771 364028355 /nfs/dbraw/zinc/02/83/55/364028355.db2.gz OJHXBFVKZSZORI-JTQLQIEISA-N -1 0 249.310 3.003 20 0 BGADRM CC[C@@H](C)c1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000630230772 364027860 /nfs/dbraw/zinc/02/78/60/364027860.db2.gz OJHXBFVKZSZORI-SNVBAGLBSA-N -1 0 249.310 3.003 20 0 BGADRM CCC(C)(C)CCN=c1[n-]nc(C(F)F)s1 ZINC000631450460 372370129 /nfs/dbraw/zinc/37/01/29/372370129.db2.gz IRFVAYHPCFBJNR-UHFFFAOYSA-N -1 0 249.330 3.136 20 0 BGADRM O=c1cc(C2CCC2)[n-]n1-c1ccc(Cl)cc1 ZINC000634581769 342798690 /nfs/dbraw/zinc/79/86/90/342798690.db2.gz CXWUGAFOLNJAGS-UHFFFAOYSA-N -1 0 248.713 3.233 20 0 BGADRM CC[C@H](C)c1cc(=O)n(-c2ccccc2C)[n-]1 ZINC000634582023 342797533 /nfs/dbraw/zinc/79/75/33/342797533.db2.gz JDUYXRLYELNGTN-JTQLQIEISA-N -1 0 230.311 3.134 20 0 BGADRM CC[C@@H](C)c1cc(=O)n(-c2ccccc2C)[n-]1 ZINC000634582024 342797633 /nfs/dbraw/zinc/79/76/33/342797633.db2.gz JDUYXRLYELNGTN-SNVBAGLBSA-N -1 0 230.311 3.134 20 0 BGADRM CC1(c2cc(=O)n(-c3ccc(Cl)cc3)[n-]2)CC1 ZINC000634582052 342797923 /nfs/dbraw/zinc/79/79/23/342797923.db2.gz JUADVWXOBNZRLM-UHFFFAOYSA-N -1 0 248.713 3.233 20 0 BGADRM Cc1ccccc1-n1[n-]c2c(c1=O)C[C@@H](C)CC2 ZINC000634582280 342798116 /nfs/dbraw/zinc/79/81/16/342798116.db2.gz OQYGXBHNROZUNQ-CMPLNLGQSA-N -1 0 242.322 3.134 20 0 BGADRM Cc1ccccc1-n1[n-]c2c(c1=O)C[C@@H](C)CC2 ZINC000634582281 342798127 /nfs/dbraw/zinc/79/81/27/342798127.db2.gz OQYGXBHNROZUNQ-JQWIXIFHSA-N -1 0 242.322 3.134 20 0 BGADRM Cc1ccccc1-n1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634582282 342798296 /nfs/dbraw/zinc/79/82/96/342798296.db2.gz OQYGXBHNROZUNQ-PWSUYJOCSA-N -1 0 242.322 3.134 20 0 BGADRM Cc1ccccc1-n1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634582283 342798287 /nfs/dbraw/zinc/79/82/87/342798287.db2.gz OQYGXBHNROZUNQ-ZYHUDNBSSA-N -1 0 242.322 3.134 20 0 BGADRM C[C@H]1CCc2c(=O)n(-c3ccc(Cl)cc3)[n-]c21 ZINC000634582604 342798481 /nfs/dbraw/zinc/79/84/81/342798481.db2.gz WWHZLINULNRBBY-GZMMTYOYSA-N -1 0 248.713 3.089 20 0 BGADRM C[C@@H]1CCc2c(=O)n(-c3ccc(Cl)cc3)[n-]c21 ZINC000634582605 342798541 /nfs/dbraw/zinc/79/85/41/342798541.db2.gz WWHZLINULNRBBY-KCJUWKMLSA-N -1 0 248.713 3.089 20 0 BGADRM C[C@H]1CCc2c(=O)n(-c3ccc(Cl)cc3)[n-]c21 ZINC000634582606 342798592 /nfs/dbraw/zinc/79/85/92/342798592.db2.gz WWHZLINULNRBBY-KWQFWETISA-N -1 0 248.713 3.089 20 0 BGADRM C[C@@H]1CCc2c(=O)n(-c3ccc(Cl)cc3)[n-]c21 ZINC000634582607 342798582 /nfs/dbraw/zinc/79/85/82/342798582.db2.gz WWHZLINULNRBBY-LDYMZIIASA-N -1 0 248.713 3.089 20 0 BGADRM CC[C@@H](C)c1cc(=O)n(-c2cccc(C)c2)[n-]1 ZINC000634582779 342799711 /nfs/dbraw/zinc/79/97/11/342799711.db2.gz ARWIXKSHWLOBBM-LLVKDONJSA-N -1 0 230.311 3.134 20 0 BGADRM CC[C@H](C)c1cc(=O)n(-c2cccc(C)c2)[n-]1 ZINC000634582780 342799740 /nfs/dbraw/zinc/79/97/40/342799740.db2.gz ARWIXKSHWLOBBM-NSHDSACASA-N -1 0 230.311 3.134 20 0 BGADRM Cc1cccc(-n2[n-]c3c(c2=O)C[C@@H](C)CC3)c1 ZINC000634582784 342799878 /nfs/dbraw/zinc/79/98/78/342799878.db2.gz BCOQAJRGNHIGOS-AAEUAGOBSA-N -1 0 242.322 3.134 20 0 BGADRM Cc1cccc(-n2[n-]c3c(c2=O)C[C@H](C)CC3)c1 ZINC000634582785 342799682 /nfs/dbraw/zinc/79/96/82/342799682.db2.gz BCOQAJRGNHIGOS-DGCLKSJQSA-N -1 0 242.322 3.134 20 0 BGADRM Cc1cccc(-n2[n-]c3c(c2=O)C[C@@H](C)CC3)c1 ZINC000634582786 342799744 /nfs/dbraw/zinc/79/97/44/342799744.db2.gz BCOQAJRGNHIGOS-WCQYABFASA-N -1 0 242.322 3.134 20 0 BGADRM Cc1cccc(-n2[n-]c3c(c2=O)C[C@H](C)CC3)c1 ZINC000634582787 342799899 /nfs/dbraw/zinc/79/98/99/342799899.db2.gz BCOQAJRGNHIGOS-YPMHNXCESA-N -1 0 242.322 3.134 20 0 BGADRM C[C@H]1CCc2c(=O)n(-c3cccc(Cl)c3)[n-]c21 ZINC000634582981 342800027 /nfs/dbraw/zinc/80/00/27/342800027.db2.gz IEPMISVPDXCBSA-GZMMTYOYSA-N -1 0 248.713 3.089 20 0 BGADRM C[C@@H]1CCc2c(=O)n(-c3cccc(Cl)c3)[n-]c21 ZINC000634582982 342800212 /nfs/dbraw/zinc/80/02/12/342800212.db2.gz IEPMISVPDXCBSA-KCJUWKMLSA-N -1 0 248.713 3.089 20 0 BGADRM C[C@H]1CCc2c(=O)n(-c3cccc(Cl)c3)[n-]c21 ZINC000634582983 342800080 /nfs/dbraw/zinc/80/00/80/342800080.db2.gz IEPMISVPDXCBSA-KWQFWETISA-N -1 0 248.713 3.089 20 0 BGADRM C[C@@H]1CCc2c(=O)n(-c3cccc(Cl)c3)[n-]c21 ZINC000634582984 342799986 /nfs/dbraw/zinc/79/99/86/342799986.db2.gz IEPMISVPDXCBSA-LDYMZIIASA-N -1 0 248.713 3.089 20 0 BGADRM Cc1ccc(-n2[n-]c3c(c2=O)C[C@@H](C)CC3)cc1 ZINC000634583000 342800177 /nfs/dbraw/zinc/80/01/77/342800177.db2.gz JCPVUFQBKSNYHR-AAEUAGOBSA-N -1 0 242.322 3.134 20 0 BGADRM Cc1ccc(-n2[n-]c3c(c2=O)C[C@H](C)CC3)cc1 ZINC000634583001 342800070 /nfs/dbraw/zinc/80/00/70/342800070.db2.gz JCPVUFQBKSNYHR-DGCLKSJQSA-N -1 0 242.322 3.134 20 0 BGADRM Cc1ccc(-n2[n-]c3c(c2=O)C[C@@H](C)CC3)cc1 ZINC000634583002 342800032 /nfs/dbraw/zinc/80/00/32/342800032.db2.gz JCPVUFQBKSNYHR-WCQYABFASA-N -1 0 242.322 3.134 20 0 BGADRM Cc1ccc(-n2[n-]c3c(c2=O)C[C@H](C)CC3)cc1 ZINC000634583003 342800223 /nfs/dbraw/zinc/80/02/23/342800223.db2.gz JCPVUFQBKSNYHR-YPMHNXCESA-N -1 0 242.322 3.134 20 0 BGADRM CC[C@@H](C)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000634583019 342800052 /nfs/dbraw/zinc/80/00/52/342800052.db2.gz JIONQZVXANQQTF-LLVKDONJSA-N -1 0 230.311 3.134 20 0 BGADRM CC[C@H](C)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000634583020 342800096 /nfs/dbraw/zinc/80/00/96/342800096.db2.gz JIONQZVXANQQTF-NSHDSACASA-N -1 0 230.311 3.134 20 0 BGADRM CC1(c2cc(=O)n(-c3cccc(Cl)c3)[n-]2)CC1 ZINC000634583023 342800106 /nfs/dbraw/zinc/80/01/06/342800106.db2.gz JIRKDBPEBXXBGW-UHFFFAOYSA-N -1 0 248.713 3.233 20 0 BGADRM O=c1cc(C2CCC2)[n-]n1-c1cccc(Cl)c1 ZINC000634583032 342800089 /nfs/dbraw/zinc/80/00/89/342800089.db2.gz JTPVMGWOLRESDQ-UHFFFAOYSA-N -1 0 248.713 3.233 20 0 BGADRM CC1(c2cc(=O)n(-c3ccccc3Cl)[n-]2)CC1 ZINC000634583238 342800602 /nfs/dbraw/zinc/80/06/02/342800602.db2.gz OUEBCMRJNLUDCL-UHFFFAOYSA-N -1 0 248.713 3.233 20 0 BGADRM C[C@@H]1CCc2c(=O)n(-c3ccccc3Cl)[n-]c21 ZINC000634583316 342801537 /nfs/dbraw/zinc/80/15/37/342801537.db2.gz QWZNJHYIYRXIOS-BDAKNGLRSA-N -1 0 248.713 3.089 20 0 BGADRM C[C@H]1CCc2c(=O)n(-c3ccccc3Cl)[n-]c21 ZINC000634583317 342801448 /nfs/dbraw/zinc/80/14/48/342801448.db2.gz QWZNJHYIYRXIOS-DTWKUNHWSA-N -1 0 248.713 3.089 20 0 BGADRM C[C@H]1CCc2c(=O)n(-c3ccccc3Cl)[n-]c21 ZINC000634583318 342801383 /nfs/dbraw/zinc/80/13/83/342801383.db2.gz QWZNJHYIYRXIOS-IUCAKERBSA-N -1 0 248.713 3.089 20 0 BGADRM C[C@@H]1CCc2c(=O)n(-c3ccccc3Cl)[n-]c21 ZINC000634583319 342801522 /nfs/dbraw/zinc/80/15/22/342801522.db2.gz QWZNJHYIYRXIOS-RKDXNWHRSA-N -1 0 248.713 3.089 20 0 BGADRM O=c1cc(C2CCC2)[n-]n1-c1ccccc1Cl ZINC000634583333 342801551 /nfs/dbraw/zinc/80/15/51/342801551.db2.gz RFGRUWCXNHWFRQ-UHFFFAOYSA-N -1 0 248.713 3.233 20 0 BGADRM Cc1ccc(-n2[n-]c(C3(C)CC3)cc2=O)c(C)c1 ZINC000634583508 342803296 /nfs/dbraw/zinc/80/32/96/342803296.db2.gz YKXPVODKASMIKT-UHFFFAOYSA-N -1 0 242.322 3.196 20 0 BGADRM Cc1ccc(-n2[n-]c(C3CCC3)cc2=O)c(C)c1 ZINC000634583522 342803238 /nfs/dbraw/zinc/80/32/38/342803238.db2.gz YWZNFJFWXSCAGP-UHFFFAOYSA-N -1 0 242.322 3.196 20 0 BGADRM Cc1ccc(-n2[n-]c3c(c2=O)CC[C@@H]3C)c(C)c1 ZINC000634583543 342803547 /nfs/dbraw/zinc/80/35/47/342803547.db2.gz ZTMYSXWIZQGPOE-CMPLNLGQSA-N -1 0 242.322 3.052 20 0 BGADRM Cc1ccc(-n2[n-]c3c(c2=O)CC[C@@H]3C)c(C)c1 ZINC000634583544 342803609 /nfs/dbraw/zinc/80/36/09/342803609.db2.gz ZTMYSXWIZQGPOE-JQWIXIFHSA-N -1 0 242.322 3.052 20 0 BGADRM Cc1ccc(-n2[n-]c3c(c2=O)CC[C@H]3C)c(C)c1 ZINC000634583545 342803617 /nfs/dbraw/zinc/80/36/17/342803617.db2.gz ZTMYSXWIZQGPOE-PWSUYJOCSA-N -1 0 242.322 3.052 20 0 BGADRM Cc1ccc(-n2[n-]c3c(c2=O)CC[C@H]3C)c(C)c1 ZINC000634583546 342803394 /nfs/dbraw/zinc/80/33/94/342803394.db2.gz ZTMYSXWIZQGPOE-ZYHUDNBSSA-N -1 0 242.322 3.052 20 0 BGADRM Cc1ccc(C)c(-n2[n-]c3c(c2=O)CC[C@H]3C)c1 ZINC000634583762 342815541 /nfs/dbraw/zinc/81/55/41/342815541.db2.gz HFZWWPCWQPWTFG-NEPJUHHUSA-N -1 0 242.322 3.052 20 0 BGADRM Cc1ccc(C)c(-n2[n-]c3c(c2=O)CC[C@@H]3C)c1 ZINC000634583763 342815373 /nfs/dbraw/zinc/81/53/73/342815373.db2.gz HFZWWPCWQPWTFG-NWDGAFQWSA-N -1 0 242.322 3.052 20 0 BGADRM Cc1ccc(C)c(-n2[n-]c3c(c2=O)CC[C@@H]3C)c1 ZINC000634583764 342815306 /nfs/dbraw/zinc/81/53/06/342815306.db2.gz HFZWWPCWQPWTFG-RYUDHWBXSA-N -1 0 242.322 3.052 20 0 BGADRM Cc1ccc(C)c(-n2[n-]c3c(c2=O)CC[C@H]3C)c1 ZINC000634583765 342815482 /nfs/dbraw/zinc/81/54/82/342815482.db2.gz HFZWWPCWQPWTFG-VXGBXAGGSA-N -1 0 242.322 3.052 20 0 BGADRM Cc1ccc(C)c(-n2[n-]c(C3CCC3)cc2=O)c1 ZINC000634583925 342820731 /nfs/dbraw/zinc/82/07/31/342820731.db2.gz MEYGGTICHAGFBS-UHFFFAOYSA-N -1 0 242.322 3.196 20 0 BGADRM Cc1ccc(C)c(-n2[n-]c(C3(C)CC3)cc2=O)c1 ZINC000634584062 342827178 /nfs/dbraw/zinc/82/71/78/342827178.db2.gz QBQCBXYMZFTXRJ-UHFFFAOYSA-N -1 0 242.322 3.196 20 0 BGADRM Cc1cc(C)cc(-n2[n-]c(C3CCC3)cc2=O)c1 ZINC000634584121 342829181 /nfs/dbraw/zinc/82/91/81/342829181.db2.gz SPCQKEBJGPCCAL-UHFFFAOYSA-N -1 0 242.322 3.196 20 0 BGADRM CCCCc1[n-]n(Cc2ccccc2)c(=O)c1C ZINC000634584122 342828929 /nfs/dbraw/zinc/82/89/29/342828929.db2.gz SPDBWNCQEFSWJT-GFCCVEGCSA-N -1 0 244.338 3.211 20 0 BGADRM CCCCc1[n-]n(Cc2ccccc2)c(=O)c1C ZINC000634584123 342829086 /nfs/dbraw/zinc/82/90/86/342829086.db2.gz SPDBWNCQEFSWJT-LBPRGKRZSA-N -1 0 244.338 3.211 20 0 BGADRM Cc1cc(C)cc(-n2[n-]c(C3(C)CC3)cc2=O)c1 ZINC000634584305 342837302 /nfs/dbraw/zinc/83/73/02/342837302.db2.gz ZAWYQTQZQCYNFB-UHFFFAOYSA-N -1 0 242.322 3.196 20 0 BGADRM CCCCn1[n-]c(CCc2ccccc2)cc1=O ZINC000634585252 342928112 /nfs/dbraw/zinc/92/81/12/342928112.db2.gz AQTQPIJNSUSIHW-UHFFFAOYSA-N -1 0 244.338 3.008 20 0 BGADRM CCc1c(=O)n(-c2ccccc2F)[n-]c1C(C)C ZINC000634587579 342932756 /nfs/dbraw/zinc/93/27/56/342932756.db2.gz RVAFPBMNBYKARX-JTQLQIEISA-N -1 0 248.301 3.211 20 0 BGADRM CCc1c(=O)n(-c2ccccc2F)[n-]c1C(C)C ZINC000634587580 342932735 /nfs/dbraw/zinc/93/27/35/342932735.db2.gz RVAFPBMNBYKARX-SNVBAGLBSA-N -1 0 248.301 3.211 20 0 BGADRM CCCCc1[n-]n(CC(C)(C)C)c(=O)c1C ZINC000634588306 342934003 /nfs/dbraw/zinc/93/40/03/342934003.db2.gz OVLQWOGYWWRBEL-JTQLQIEISA-N -1 0 224.348 3.057 20 0 BGADRM CCCCc1[n-]n(CC(C)(C)C)c(=O)c1C ZINC000634588307 342934014 /nfs/dbraw/zinc/93/40/14/342934014.db2.gz OVLQWOGYWWRBEL-SNVBAGLBSA-N -1 0 224.348 3.057 20 0 BGADRM O=C1[C@@H]2CCCCCCC2=NN1C1CCCC1 ZINC000634588468 342934394 /nfs/dbraw/zinc/93/43/94/342934394.db2.gz UEWAAUGQESZESN-GFCCVEGCSA-N -1 0 234.343 3.098 20 0 BGADRM O=C1[C@H]2CCCCCCC2=NN1C1CCCC1 ZINC000634588469 342934489 /nfs/dbraw/zinc/93/44/89/342934489.db2.gz UEWAAUGQESZESN-LBPRGKRZSA-N -1 0 234.343 3.098 20 0 BGADRM CC[C@@H](C)c1cc(=O)n(Cc2ccc(C)cc2)[n-]1 ZINC000634588770 342934689 /nfs/dbraw/zinc/93/46/89/342934689.db2.gz DJXRWLYDXAZDSG-GFCCVEGCSA-N -1 0 244.338 3.129 20 0 BGADRM CC[C@H](C)c1cc(=O)n(Cc2ccc(C)cc2)[n-]1 ZINC000634588771 342934845 /nfs/dbraw/zinc/93/48/45/342934845.db2.gz DJXRWLYDXAZDSG-LBPRGKRZSA-N -1 0 244.338 3.129 20 0 BGADRM CCc1ccccc1-n1[n-]c(C2(C)CC2)cc1=O ZINC000634589000 342935213 /nfs/dbraw/zinc/93/52/13/342935213.db2.gz LETMIGONXAAWKD-UHFFFAOYSA-N -1 0 242.322 3.142 20 0 BGADRM CCc1ccccc1-n1[n-]c(C2CCC2)cc1=O ZINC000634589070 342935292 /nfs/dbraw/zinc/93/52/92/342935292.db2.gz NEQQZYNWKHHHIC-UHFFFAOYSA-N -1 0 242.322 3.142 20 0 BGADRM CCCCc1cc(=O)n(Cc2ccc(C)cc2)[n-]1 ZINC000634589178 342935143 /nfs/dbraw/zinc/93/51/43/342935143.db2.gz QBSBSBWHDVFDEW-UHFFFAOYSA-N -1 0 244.338 3.274 20 0 BGADRM CCCCc1cc(=O)n(Cc2cccc(F)c2)[n-]1 ZINC000634589632 342936242 /nfs/dbraw/zinc/93/62/42/342936242.db2.gz CUXCKYSDQNCDIT-UHFFFAOYSA-N -1 0 248.301 3.104 20 0 BGADRM CC[C@H]1C(=O)N(CC2CCCC2)N=C1C(C)C ZINC000634591651 342943365 /nfs/dbraw/zinc/94/33/65/342943365.db2.gz JMQORVFZFZMBGY-GFCCVEGCSA-N -1 0 236.359 3.057 20 0 BGADRM CC[C@@H]1C(=O)N(CC2CCCC2)N=C1C(C)C ZINC000634591652 342943388 /nfs/dbraw/zinc/94/33/88/342943388.db2.gz JMQORVFZFZMBGY-LBPRGKRZSA-N -1 0 236.359 3.057 20 0 BGADRM Cc1[n-]n(-c2cccc(Cl)c2C)c(=O)c1C ZINC000634592171 342945872 /nfs/dbraw/zinc/94/58/72/342945872.db2.gz ALQYUUWUNPEOEG-SSDOTTSWSA-N -1 0 236.702 3.007 20 0 BGADRM Cc1[n-]n(-c2cccc(Cl)c2C)c(=O)c1C ZINC000634592172 342945876 /nfs/dbraw/zinc/94/58/76/342945876.db2.gz ALQYUUWUNPEOEG-ZETCQYMHSA-N -1 0 236.702 3.007 20 0 BGADRM Cc1c(Cl)cccc1-n1[n-]c(C2CC2)cc1=O ZINC000634592598 342946488 /nfs/dbraw/zinc/94/64/88/342946488.db2.gz ORBKNRYLWIJCEX-UHFFFAOYSA-N -1 0 248.713 3.151 20 0 BGADRM Cc1c(Cl)cccc1-n1[n-]c2c(c1=O)CCC2 ZINC000634592713 342946246 /nfs/dbraw/zinc/94/62/46/342946246.db2.gz RRBCKYUJAJRPHO-SECBINFHSA-N -1 0 248.713 3.151 20 0 BGADRM Cc1c(Cl)cccc1-n1[n-]c2c(c1=O)CCC2 ZINC000634592714 342946473 /nfs/dbraw/zinc/94/64/73/342946473.db2.gz RRBCKYUJAJRPHO-VIFPVBQESA-N -1 0 248.713 3.151 20 0 BGADRM CCCCc1cc(=O)n(CCc2ccccc2)[n-]1 ZINC000634592726 342946497 /nfs/dbraw/zinc/94/64/97/342946497.db2.gz RXASTKLHOWLEOQ-UHFFFAOYSA-N -1 0 244.338 3.008 20 0 BGADRM CCc1ccc(-n2[n-]c(C3CCC3)cc2=O)cc1 ZINC000634593903 342953246 /nfs/dbraw/zinc/95/32/46/342953246.db2.gz DGEIORNWAXRGTR-UHFFFAOYSA-N -1 0 242.322 3.142 20 0 BGADRM CSc1ccc(-n2[n-]c(C(C)C)cc2=O)cc1 ZINC000634594035 342953192 /nfs/dbraw/zinc/95/31/92/342953192.db2.gz IOBHZZBZFWKLGI-UHFFFAOYSA-N -1 0 248.351 3.157 20 0 BGADRM O=c1cc(-c2cccs2)[n-]n1C1CCCCC1 ZINC000634594139 342953230 /nfs/dbraw/zinc/95/32/30/342953230.db2.gz MEKFEDQZAVQMSB-UHFFFAOYSA-N -1 0 248.351 3.017 20 0 BGADRM CCCCc1cc(=O)n(C2CCCCC2)[n-]1 ZINC000634594162 342953575 /nfs/dbraw/zinc/95/35/75/342953575.db2.gz MUIAILDQCHNAMU-UHFFFAOYSA-N -1 0 222.332 3.098 20 0 BGADRM Cc1ccc(-n2[n-]c(C3CC3)cc2=O)c(Cl)c1 ZINC000634594172 342953739 /nfs/dbraw/zinc/95/37/39/342953739.db2.gz NCRPHKVXBKKNMO-UHFFFAOYSA-N -1 0 248.713 3.151 20 0 BGADRM Cc1ccc(-n2[n-]c3c(c2=O)CCC3)c(Cl)c1 ZINC000634594273 342952339 /nfs/dbraw/zinc/95/23/39/342952339.db2.gz QAGUSDCQJOXIAB-SECBINFHSA-N -1 0 248.713 3.151 20 0 BGADRM Cc1ccc(-n2[n-]c3c(c2=O)CCC3)c(Cl)c1 ZINC000634594274 342952257 /nfs/dbraw/zinc/95/22/57/342952257.db2.gz QAGUSDCQJOXIAB-VIFPVBQESA-N -1 0 248.713 3.151 20 0 BGADRM Cc1[n-]n(-c2ccc(C)cc2Cl)c(=O)c1C ZINC000634594309 342952379 /nfs/dbraw/zinc/95/23/79/342952379.db2.gz RDKGIDXLGXAFIK-MRVPVSSYSA-N -1 0 236.702 3.007 20 0 BGADRM Cc1[n-]n(-c2ccc(C)cc2Cl)c(=O)c1C ZINC000634594310 342952226 /nfs/dbraw/zinc/95/22/26/342952226.db2.gz RDKGIDXLGXAFIK-QMMMGPOBSA-N -1 0 236.702 3.007 20 0 BGADRM CCCCc1[n-]n(C2CCCCC2)c(=O)c1C ZINC000634594319 342952427 /nfs/dbraw/zinc/95/24/27/342952427.db2.gz ROXFOJBNGQRWFG-LLVKDONJSA-N -1 0 236.359 3.344 20 0 BGADRM CCCCc1[n-]n(C2CCCCC2)c(=O)c1C ZINC000634594320 342952496 /nfs/dbraw/zinc/95/24/96/342952496.db2.gz ROXFOJBNGQRWFG-NSHDSACASA-N -1 0 236.359 3.344 20 0 BGADRM CCc1ccc(-n2[n-]c(C3(C)CC3)cc2=O)cc1 ZINC000634594491 342952305 /nfs/dbraw/zinc/95/23/05/342952305.db2.gz XWPOQKMDVIUONM-UHFFFAOYSA-N -1 0 242.322 3.142 20 0 BGADRM CCc1[n-]n(-c2ccc(SC)cc2)c(=O)c1C ZINC000634594566 342952879 /nfs/dbraw/zinc/95/28/79/342952879.db2.gz ZSNRVPDDZMHCQE-SECBINFHSA-N -1 0 248.351 3.157 20 0 BGADRM CCc1[n-]n(-c2ccc(SC)cc2)c(=O)c1C ZINC000634594567 342952747 /nfs/dbraw/zinc/95/27/47/342952747.db2.gz ZSNRVPDDZMHCQE-VIFPVBQESA-N -1 0 248.351 3.157 20 0 BGADRM CC[C@@H](C)c1cc(=O)n([C@@H](C)c2ccccc2)[n-]1 ZINC000634599073 342987113 /nfs/dbraw/zinc/98/71/13/342987113.db2.gz ABSBFYXFBHYMPS-NEPJUHHUSA-N -1 0 244.338 3.382 20 0 BGADRM CC[C@H](C)c1cc(=O)n([C@H](C)c2ccccc2)[n-]1 ZINC000634599074 342987378 /nfs/dbraw/zinc/98/73/78/342987378.db2.gz ABSBFYXFBHYMPS-NWDGAFQWSA-N -1 0 244.338 3.382 20 0 BGADRM CC[C@H](C)c1cc(=O)n([C@@H](C)c2ccccc2)[n-]1 ZINC000634599075 342986990 /nfs/dbraw/zinc/98/69/90/342986990.db2.gz ABSBFYXFBHYMPS-RYUDHWBXSA-N -1 0 244.338 3.382 20 0 BGADRM CC[C@@H](C)c1cc(=O)n([C@H](C)c2ccccc2)[n-]1 ZINC000634599076 342987370 /nfs/dbraw/zinc/98/73/70/342987370.db2.gz ABSBFYXFBHYMPS-VXGBXAGGSA-N -1 0 244.338 3.382 20 0 BGADRM C[C@H](c1ccccc1)n1[n-]c(C2(C)CC2)cc1=O ZINC000634599089 342986980 /nfs/dbraw/zinc/98/69/80/342986980.db2.gz AHWUPJYXZVFGIF-LLVKDONJSA-N -1 0 242.322 3.136 20 0 BGADRM C[C@@H](c1ccccc1)n1[n-]c(C2(C)CC2)cc1=O ZINC000634599090 342987087 /nfs/dbraw/zinc/98/70/87/342987087.db2.gz AHWUPJYXZVFGIF-NSHDSACASA-N -1 0 242.322 3.136 20 0 BGADRM CC[C@H](C)c1cc(=O)n([C@@H]2CCC[C@@H](C)C2)[n-]1 ZINC000634599625 342989035 /nfs/dbraw/zinc/98/90/35/342989035.db2.gz MDGIPEOKBWLQGQ-GRYCIOLGSA-N -1 0 236.359 3.200 20 0 BGADRM CC[C@H](C)c1cc(=O)n([C@@H]2CCC[C@H](C)C2)[n-]1 ZINC000634599626 342989204 /nfs/dbraw/zinc/98/92/04/342989204.db2.gz MDGIPEOKBWLQGQ-SDDRHHMPSA-N -1 0 236.359 3.200 20 0 BGADRM CC[C@H](C)c1cc(=O)n([C@H]2CCC[C@H](C)C2)[n-]1 ZINC000634599627 342989218 /nfs/dbraw/zinc/98/92/18/342989218.db2.gz MDGIPEOKBWLQGQ-SRVKXCTJSA-N -1 0 236.359 3.200 20 0 BGADRM CC[C@H](C)c1cc(=O)n([C@H]2CCC[C@@H](C)C2)[n-]1 ZINC000634599628 342989236 /nfs/dbraw/zinc/98/92/36/342989236.db2.gz MDGIPEOKBWLQGQ-WOPDTQHZSA-N -1 0 236.359 3.200 20 0 BGADRM C[C@H](c1ccccc1)n1[n-]c(C2CCC2)cc1=O ZINC000634599769 342989153 /nfs/dbraw/zinc/98/91/53/342989153.db2.gz PPNGEMWBMWWNPR-LLVKDONJSA-N -1 0 242.322 3.136 20 0 BGADRM C[C@@H](c1ccccc1)n1[n-]c(C2CCC2)cc1=O ZINC000634599770 342989182 /nfs/dbraw/zinc/98/91/82/342989182.db2.gz PPNGEMWBMWWNPR-NSHDSACASA-N -1 0 242.322 3.136 20 0 BGADRM CCCc1cc(=O)n([C@H](C)c2ccccc2)[n-]1 ZINC000634599957 342990757 /nfs/dbraw/zinc/99/07/57/342990757.db2.gz TXUZBWIFGMUEPX-LLVKDONJSA-N -1 0 230.311 3.136 20 0 BGADRM CCCc1cc(=O)n([C@@H](C)c2ccccc2)[n-]1 ZINC000634599958 342990752 /nfs/dbraw/zinc/99/07/52/342990752.db2.gz TXUZBWIFGMUEPX-NSHDSACASA-N -1 0 230.311 3.136 20 0 BGADRM CCCCc1cc(=O)n([C@H]2CCC[C@H](C)C2)[n-]1 ZINC000634600233 342992651 /nfs/dbraw/zinc/99/26/51/342992651.db2.gz ANQOWJICJSWJFV-AAEUAGOBSA-N -1 0 236.359 3.344 20 0 BGADRM CCCCc1cc(=O)n([C@@H]2CCC[C@@H](C)C2)[n-]1 ZINC000634600234 342992604 /nfs/dbraw/zinc/99/26/04/342992604.db2.gz ANQOWJICJSWJFV-DGCLKSJQSA-N -1 0 236.359 3.344 20 0 BGADRM CCCCc1cc(=O)n([C@@H]2CCC[C@H](C)C2)[n-]1 ZINC000634600235 342992831 /nfs/dbraw/zinc/99/28/31/342992831.db2.gz ANQOWJICJSWJFV-WCQYABFASA-N -1 0 236.359 3.344 20 0 BGADRM CCCCc1cc(=O)n([C@H]2CCC[C@@H](C)C2)[n-]1 ZINC000634600236 342992807 /nfs/dbraw/zinc/99/28/07/342992807.db2.gz ANQOWJICJSWJFV-YPMHNXCESA-N -1 0 236.359 3.344 20 0 BGADRM O=c1cc(C2CCC2)[n-]n1C1CCCCCC1 ZINC000634602915 342998137 /nfs/dbraw/zinc/99/81/37/342998137.db2.gz JFIWUXPOEUEJEQ-UHFFFAOYSA-N -1 0 234.343 3.098 20 0 BGADRM CC1(c2cc(=O)n(C3CCCCCC3)[n-]2)CC1 ZINC000634602918 342998213 /nfs/dbraw/zinc/99/82/13/342998213.db2.gz JGXZWZDGISOIES-UHFFFAOYSA-N -1 0 234.343 3.098 20 0 BGADRM CC[C@@H](C)c1cc(=O)n(C2CCCCCC2)[n-]1 ZINC000634603167 342998262 /nfs/dbraw/zinc/99/82/62/342998262.db2.gz QREYQCYKEROMRI-LLVKDONJSA-N -1 0 236.359 3.344 20 0 BGADRM CC[C@H](C)c1cc(=O)n(C2CCCCCC2)[n-]1 ZINC000634603168 342998009 /nfs/dbraw/zinc/99/80/09/342998009.db2.gz QREYQCYKEROMRI-NSHDSACASA-N -1 0 236.359 3.344 20 0 BGADRM CC[C@@H](C)c1cc(=O)n(Cc2cccc(C)c2)[n-]1 ZINC000634604886 342999173 /nfs/dbraw/zinc/99/91/73/342999173.db2.gz VNBARUZDEUGMHH-GFCCVEGCSA-N -1 0 244.338 3.129 20 0 BGADRM CC[C@H](C)c1cc(=O)n(Cc2cccc(C)c2)[n-]1 ZINC000634604887 342999089 /nfs/dbraw/zinc/99/90/89/342999089.db2.gz VNBARUZDEUGMHH-LBPRGKRZSA-N -1 0 244.338 3.129 20 0 BGADRM CCC(CC)n1[n-]c(Cc2ccccc2)cc1=O ZINC000634605450 342999640 /nfs/dbraw/zinc/99/96/40/342999640.db2.gz MMFYZZMAGCXITQ-UHFFFAOYSA-N -1 0 244.338 3.006 20 0 BGADRM CCCCc1[n-]n(C(CC)CC)c(=O)c1C ZINC000634605810 343000454 /nfs/dbraw/zinc/00/04/54/343000454.db2.gz XLWXPQITSVHNNT-JTQLQIEISA-N -1 0 224.348 3.200 20 0 BGADRM CCCCc1[n-]n(C(CC)CC)c(=O)c1C ZINC000634605811 343000304 /nfs/dbraw/zinc/00/03/04/343000304.db2.gz XLWXPQITSVHNNT-SNVBAGLBSA-N -1 0 224.348 3.200 20 0 BGADRM CCCCc1cc(=O)n(Cc2ccccc2F)[n-]1 ZINC000634607576 343003210 /nfs/dbraw/zinc/00/32/10/343003210.db2.gz BPDDNFHYBLXDPC-UHFFFAOYSA-N -1 0 248.301 3.104 20 0 BGADRM Cc1cccc(Cl)c1-n1[n-]c2c(c1=O)CCC2 ZINC000634608397 343004145 /nfs/dbraw/zinc/00/41/45/343004145.db2.gz AUVYINUNXJWKEX-SECBINFHSA-N -1 0 248.713 3.151 20 0 BGADRM Cc1cccc(Cl)c1-n1[n-]c2c(c1=O)CCC2 ZINC000634608398 343003980 /nfs/dbraw/zinc/00/39/80/343003980.db2.gz AUVYINUNXJWKEX-VIFPVBQESA-N -1 0 248.713 3.151 20 0 BGADRM Cc1cccc(Cl)c1-n1[n-]c(C2CC2)cc1=O ZINC000634608475 343004657 /nfs/dbraw/zinc/00/46/57/343004657.db2.gz DLVHOKKBWSIWPC-UHFFFAOYSA-N -1 0 248.713 3.151 20 0 BGADRM CCc1cc(=O)n(-c2c(C)cccc2Cl)[n-]1 ZINC000634608610 343004667 /nfs/dbraw/zinc/00/46/67/343004667.db2.gz HSNZNXXESHRJND-UHFFFAOYSA-N -1 0 236.702 3.151 20 0 BGADRM CC[C@H](C)c1cc(=O)n(-c2cc(C)ccc2F)[n-]1 ZINC000634610600 343007021 /nfs/dbraw/zinc/00/70/21/343007021.db2.gz AWWGTEFPWTZSJX-JTQLQIEISA-N -1 0 248.301 3.273 20 0 BGADRM CC[C@@H](C)c1cc(=O)n(-c2cc(C)ccc2F)[n-]1 ZINC000634610601 343007082 /nfs/dbraw/zinc/00/70/82/343007082.db2.gz AWWGTEFPWTZSJX-SNVBAGLBSA-N -1 0 248.301 3.273 20 0 BGADRM CCCc1cc(=O)n(-c2cc(C)ccc2F)[n-]1 ZINC000634610731 343007073 /nfs/dbraw/zinc/00/70/73/343007073.db2.gz DJGQKWYOVTWXEN-UHFFFAOYSA-N -1 0 234.274 3.027 20 0 BGADRM Cc1ccc(F)c(-n2[n-]c(C3CCC3)cc2=O)c1 ZINC000634610786 343007058 /nfs/dbraw/zinc/00/70/58/343007058.db2.gz GMRHIQJJSIPMJZ-UHFFFAOYSA-N -1 0 246.285 3.027 20 0 BGADRM Cc1ccc(F)c(-n2[n-]c3c(c2=O)CCCC3)c1 ZINC000634611131 343008204 /nfs/dbraw/zinc/00/82/04/343008204.db2.gz OLMYUGUJDCEDFQ-JTQLQIEISA-N -1 0 246.285 3.027 20 0 BGADRM Cc1ccc(F)c(-n2[n-]c3c(c2=O)CCCC3)c1 ZINC000634611132 343008404 /nfs/dbraw/zinc/00/84/04/343008404.db2.gz OLMYUGUJDCEDFQ-SNVBAGLBSA-N -1 0 246.285 3.027 20 0 BGADRM Cc1ccc(F)c(-n2[n-]c(C3(C)CC3)cc2=O)c1 ZINC000634611366 343008216 /nfs/dbraw/zinc/00/82/16/343008216.db2.gz SWMGTGIMAGQSSJ-UHFFFAOYSA-N -1 0 246.285 3.027 20 0 BGADRM Cc1ccc(-n2[n-]c3c(c2=O)CCCC3)cc1F ZINC000634614520 343012065 /nfs/dbraw/zinc/01/20/65/343012065.db2.gz FDTNQITUKAUBJI-LLVKDONJSA-N -1 0 246.285 3.027 20 0 BGADRM Cc1ccc(-n2[n-]c3c(c2=O)CCCC3)cc1F ZINC000634614521 343012048 /nfs/dbraw/zinc/01/20/48/343012048.db2.gz FDTNQITUKAUBJI-NSHDSACASA-N -1 0 246.285 3.027 20 0 BGADRM Cc1ccc(-n2[n-]c(C3CCC3)cc2=O)cc1F ZINC000634614817 343012185 /nfs/dbraw/zinc/01/21/85/343012185.db2.gz OVIKESYFPJSPMB-UHFFFAOYSA-N -1 0 246.285 3.027 20 0 BGADRM Cc1ccc(-n2[n-]c(C3(C)CC3)cc2=O)cc1F ZINC000634614972 343012575 /nfs/dbraw/zinc/01/25/75/343012575.db2.gz UDTCWDBEKLKHAC-UHFFFAOYSA-N -1 0 246.285 3.027 20 0 BGADRM CC[C@@H](C)c1cc(=O)n(-c2ccc(C)c(F)c2)[n-]1 ZINC000634615071 343012766 /nfs/dbraw/zinc/01/27/66/343012766.db2.gz WNIGZMDXJDDRGW-SECBINFHSA-N -1 0 248.301 3.273 20 0 BGADRM CC[C@H](C)c1cc(=O)n(-c2ccc(C)c(F)c2)[n-]1 ZINC000634615072 343012520 /nfs/dbraw/zinc/01/25/20/343012520.db2.gz WNIGZMDXJDDRGW-VIFPVBQESA-N -1 0 248.301 3.273 20 0 BGADRM CC[C@@H](C)c1cc(=O)n(-c2cc(F)ccc2C)[n-]1 ZINC000634615647 343013507 /nfs/dbraw/zinc/01/35/07/343013507.db2.gz NCWCWRDGFAYVFW-SECBINFHSA-N -1 0 248.301 3.273 20 0 BGADRM CC[C@H](C)c1cc(=O)n(-c2cc(F)ccc2C)[n-]1 ZINC000634615648 343013667 /nfs/dbraw/zinc/01/36/67/343013667.db2.gz NCWCWRDGFAYVFW-VIFPVBQESA-N -1 0 248.301 3.273 20 0 BGADRM Cc1ccc(F)cc1-n1[n-]c(C2CCC2)cc1=O ZINC000634615718 343013503 /nfs/dbraw/zinc/01/35/03/343013503.db2.gz PEVHRDHSYULZGZ-UHFFFAOYSA-N -1 0 246.285 3.027 20 0 BGADRM Cc1ccc(F)cc1-n1[n-]c2c(c1=O)CCCC2 ZINC000634615890 343013829 /nfs/dbraw/zinc/01/38/29/343013829.db2.gz VDYJIRKOZDYUDX-LLVKDONJSA-N -1 0 246.285 3.027 20 0 BGADRM Cc1ccc(F)cc1-n1[n-]c2c(c1=O)CCCC2 ZINC000634615891 343013894 /nfs/dbraw/zinc/01/38/94/343013894.db2.gz VDYJIRKOZDYUDX-NSHDSACASA-N -1 0 246.285 3.027 20 0 BGADRM Cc1ccc(F)cc1-n1[n-]c(C2(C)CC2)cc1=O ZINC000634615968 343012655 /nfs/dbraw/zinc/01/26/55/343012655.db2.gz WXHXDGIIJFERIQ-UHFFFAOYSA-N -1 0 246.285 3.027 20 0 BGADRM CCCCCn1[n-]c(Cc2ccccc2)cc1=O ZINC000634619411 343018381 /nfs/dbraw/zinc/01/83/81/343018381.db2.gz YEQPMZJTURLLTD-UHFFFAOYSA-N -1 0 244.338 3.008 20 0 BGADRM CC[C@H](C)c1cc(=O)n(CCC(C)(C)C)[n-]1 ZINC000634620424 343019741 /nfs/dbraw/zinc/01/97/41/343019741.db2.gz CZAWPNMDNVQVAV-JTQLQIEISA-N -1 0 224.348 3.057 20 0 BGADRM CC[C@@H](C)c1cc(=O)n(CCC(C)(C)C)[n-]1 ZINC000634620425 343019753 /nfs/dbraw/zinc/01/97/53/343019753.db2.gz CZAWPNMDNVQVAV-SNVBAGLBSA-N -1 0 224.348 3.057 20 0 BGADRM CCCCc1cc(=O)n(CCC(C)(C)C)[n-]1 ZINC000634620441 343019764 /nfs/dbraw/zinc/01/97/64/343019764.db2.gz DLFGWWYDKQARRP-UHFFFAOYSA-N -1 0 224.348 3.201 20 0 BGADRM CC(C)(C)CCN1N=C2CCCCC[C@H]2C1=O ZINC000634620553 343019626 /nfs/dbraw/zinc/01/96/26/343019626.db2.gz HTKFAGGVJRSZLI-LLVKDONJSA-N -1 0 236.359 3.201 20 0 BGADRM CC(C)(C)CCN1N=C2CCCCC[C@@H]2C1=O ZINC000634620554 343019553 /nfs/dbraw/zinc/01/95/53/343019553.db2.gz HTKFAGGVJRSZLI-NSHDSACASA-N -1 0 236.359 3.201 20 0 BGADRM CCC(CC)Cn1[n-]c([C@@H](C)CC)cc1=O ZINC000634622237 343023824 /nfs/dbraw/zinc/02/38/24/343023824.db2.gz ZGOHVTAKPMZZBA-JTQLQIEISA-N -1 0 224.348 3.057 20 0 BGADRM CCC(CC)Cn1[n-]c([C@H](C)CC)cc1=O ZINC000634622238 343023640 /nfs/dbraw/zinc/02/36/40/343023640.db2.gz ZGOHVTAKPMZZBA-SNVBAGLBSA-N -1 0 224.348 3.057 20 0 BGADRM CC[C@@H](C)n1[n-]c(CCc2ccccc2)cc1=O ZINC000634623499 343027610 /nfs/dbraw/zinc/02/76/10/343027610.db2.gz HPNGKKQPNVDROQ-GFCCVEGCSA-N -1 0 244.338 3.006 20 0 BGADRM CC[C@H](C)n1[n-]c(CCc2ccccc2)cc1=O ZINC000634623500 343027686 /nfs/dbraw/zinc/02/76/86/343027686.db2.gz HPNGKKQPNVDROQ-LBPRGKRZSA-N -1 0 244.338 3.006 20 0 BGADRM C[C@@H]1CCc2c1[n-]n([C@@H]1CCCCC1(C)C)c2=O ZINC000634625276 343029251 /nfs/dbraw/zinc/02/92/51/343029251.db2.gz CDSZUFHTFBRLFD-GRYCIOLGSA-N -1 0 248.370 3.200 20 0 BGADRM C[C@@H]1CCc2c1[n-]n([C@@H]1CCCCC1(C)C)c2=O ZINC000634625277 343029206 /nfs/dbraw/zinc/02/92/06/343029206.db2.gz CDSZUFHTFBRLFD-IJLUTSLNSA-N -1 0 248.370 3.200 20 0 BGADRM C[C@@H]1CCc2c1[n-]n([C@H]1CCCCC1(C)C)c2=O ZINC000634625278 343029059 /nfs/dbraw/zinc/02/90/59/343029059.db2.gz CDSZUFHTFBRLFD-UTUOFQBUSA-N -1 0 248.370 3.200 20 0 BGADRM C[C@@H]1CCc2c1[n-]n([C@H]1CCCCC1(C)C)c2=O ZINC000634625279 343029147 /nfs/dbraw/zinc/02/91/47/343029147.db2.gz CDSZUFHTFBRLFD-WOPDTQHZSA-N -1 0 248.370 3.200 20 0 BGADRM CC1(c2cc(=O)n([C@@H]3CCCCC3(C)C)[n-]2)CC1 ZINC000634625427 343029398 /nfs/dbraw/zinc/02/93/98/343029398.db2.gz GSMQGPLPGGBWRN-GFCCVEGCSA-N -1 0 248.370 3.344 20 0 BGADRM CC1(c2cc(=O)n([C@H]3CCCCC3(C)C)[n-]2)CC1 ZINC000634625428 343029155 /nfs/dbraw/zinc/02/91/55/343029155.db2.gz GSMQGPLPGGBWRN-LBPRGKRZSA-N -1 0 248.370 3.344 20 0 BGADRM CC1(C)CCCC[C@H]1n1[n-]c(C2CCC2)cc1=O ZINC000634625457 343029315 /nfs/dbraw/zinc/02/93/15/343029315.db2.gz HBMDUMQGYMOKTI-CYBMUJFWSA-N -1 0 248.370 3.344 20 0 BGADRM CC1(C)CCCC[C@@H]1n1[n-]c(C2CCC2)cc1=O ZINC000634625458 343029487 /nfs/dbraw/zinc/02/94/87/343029487.db2.gz HBMDUMQGYMOKTI-ZDUSSCGKSA-N -1 0 248.370 3.344 20 0 BGADRM CC[C@H](C)c1cc(=O)n([C@@H]2CCCC2(C)C)[n-]1 ZINC000634625500 343029883 /nfs/dbraw/zinc/02/98/83/343029883.db2.gz IBMJVCAODFPMBI-CMPLNLGQSA-N -1 0 236.359 3.200 20 0 BGADRM CC[C@H](C)c1cc(=O)n([C@H]2CCCC2(C)C)[n-]1 ZINC000634625501 343029899 /nfs/dbraw/zinc/02/98/99/343029899.db2.gz IBMJVCAODFPMBI-JQWIXIFHSA-N -1 0 236.359 3.200 20 0 BGADRM CC[C@@H](C)c1cc(=O)n([C@H]2CCCC2(C)C)[n-]1 ZINC000634625502 343029821 /nfs/dbraw/zinc/02/98/21/343029821.db2.gz IBMJVCAODFPMBI-PWSUYJOCSA-N -1 0 236.359 3.200 20 0 BGADRM CC[C@@H](C)c1cc(=O)n([C@@H]2CCCC2(C)C)[n-]1 ZINC000634625503 343029806 /nfs/dbraw/zinc/02/98/06/343029806.db2.gz IBMJVCAODFPMBI-ZYHUDNBSSA-N -1 0 236.359 3.200 20 0 BGADRM CCc1[n-]n([C@@H]2CCCCC2(C)C)c(=O)c1C ZINC000634625522 343029756 /nfs/dbraw/zinc/02/97/56/343029756.db2.gz IKEWLBFNZOBISD-CMPLNLGQSA-N -1 0 236.359 3.200 20 0 BGADRM CCc1[n-]n([C@H]2CCCCC2(C)C)c(=O)c1C ZINC000634625523 343029644 /nfs/dbraw/zinc/02/96/44/343029644.db2.gz IKEWLBFNZOBISD-JQWIXIFHSA-N -1 0 236.359 3.200 20 0 BGADRM CCc1[n-]n([C@H]2CCCCC2(C)C)c(=O)c1C ZINC000634625524 343029876 /nfs/dbraw/zinc/02/98/76/343029876.db2.gz IKEWLBFNZOBISD-PWSUYJOCSA-N -1 0 236.359 3.200 20 0 BGADRM CCc1[n-]n([C@@H]2CCCCC2(C)C)c(=O)c1C ZINC000634625525 343029919 /nfs/dbraw/zinc/02/99/19/343029919.db2.gz IKEWLBFNZOBISD-ZYHUDNBSSA-N -1 0 236.359 3.200 20 0 BGADRM CCCCc1cc(=O)n([C@@H]2CCCC2(C)C)[n-]1 ZINC000634625776 343030277 /nfs/dbraw/zinc/03/02/77/343030277.db2.gz NMQDOOKJUFEKHE-GFCCVEGCSA-N -1 0 236.359 3.344 20 0 BGADRM CCCCc1cc(=O)n([C@H]2CCCC2(C)C)[n-]1 ZINC000634625777 343030116 /nfs/dbraw/zinc/03/01/16/343030116.db2.gz NMQDOOKJUFEKHE-LBPRGKRZSA-N -1 0 236.359 3.344 20 0 BGADRM CC(C)c1cc(=O)n([C@@H]2CCCCC2(C)C)[n-]1 ZINC000634625900 343030650 /nfs/dbraw/zinc/03/06/50/343030650.db2.gz QTVRENOPUVEROW-GFCCVEGCSA-N -1 0 236.359 3.200 20 0 BGADRM CC(C)c1cc(=O)n([C@H]2CCCCC2(C)C)[n-]1 ZINC000634625901 343030792 /nfs/dbraw/zinc/03/07/92/343030792.db2.gz QTVRENOPUVEROW-LBPRGKRZSA-N -1 0 236.359 3.200 20 0 BGADRM CCCCc1cc(=O)n([C@@H](C)C(C)(C)C)[n-]1 ZINC000634629849 343037851 /nfs/dbraw/zinc/03/78/51/343037851.db2.gz FKZFINQJVAJXLR-JTQLQIEISA-N -1 0 224.348 3.200 20 0 BGADRM CCCCc1cc(=O)n([C@H](C)C(C)(C)C)[n-]1 ZINC000634629850 343037970 /nfs/dbraw/zinc/03/79/70/343037970.db2.gz FKZFINQJVAJXLR-SNVBAGLBSA-N -1 0 224.348 3.200 20 0 BGADRM CC[C@@H](C)c1cc(=O)n(CC2(C)CCCC2)[n-]1 ZINC000634630105 343038786 /nfs/dbraw/zinc/03/87/86/343038786.db2.gz MONGSVUURBCJJR-LLVKDONJSA-N -1 0 236.359 3.201 20 0 BGADRM CC[C@H](C)c1cc(=O)n(CC2(C)CCCC2)[n-]1 ZINC000634630106 343038628 /nfs/dbraw/zinc/03/86/28/343038628.db2.gz MONGSVUURBCJJR-NSHDSACASA-N -1 0 236.359 3.201 20 0 BGADRM CC[C@@H](C)c1cc(=O)n([C@H](C)C(C)(C)C)[n-]1 ZINC000634630425 343039191 /nfs/dbraw/zinc/03/91/91/343039191.db2.gz VBRNSRQAILRJLZ-NXEZZACHSA-N -1 0 224.348 3.055 20 0 BGADRM CC[C@H](C)c1cc(=O)n([C@@H](C)C(C)(C)C)[n-]1 ZINC000634630426 343038982 /nfs/dbraw/zinc/03/89/82/343038982.db2.gz VBRNSRQAILRJLZ-UWVGGRQHSA-N -1 0 224.348 3.055 20 0 BGADRM CC[C@H](C)c1cc(=O)n([C@H](C)C(C)(C)C)[n-]1 ZINC000634630427 343039062 /nfs/dbraw/zinc/03/90/62/343039062.db2.gz VBRNSRQAILRJLZ-VHSXEESVSA-N -1 0 224.348 3.055 20 0 BGADRM CC[C@@H](C)c1cc(=O)n([C@@H](C)C(C)(C)C)[n-]1 ZINC000634630428 343039297 /nfs/dbraw/zinc/03/92/97/343039297.db2.gz VBRNSRQAILRJLZ-ZJUUUORDSA-N -1 0 224.348 3.055 20 0 BGADRM CC1(C)CCC(n2[n-]c(C3CCC3)cc2=O)CC1 ZINC000634635285 343049203 /nfs/dbraw/zinc/04/92/03/343049203.db2.gz AYSVUWRIPICYIY-UHFFFAOYSA-N -1 0 248.370 3.344 20 0 BGADRM CC1(c2cc(=O)n(C3CCC(C)(C)CC3)[n-]2)CC1 ZINC000634636009 343050058 /nfs/dbraw/zinc/05/00/58/343050058.db2.gz SPXJRBGLFIITPJ-UHFFFAOYSA-N -1 0 248.370 3.344 20 0 BGADRM CC(C)c1cc(=O)n(C2CCC(C)(C)CC2)[n-]1 ZINC000634636199 343049950 /nfs/dbraw/zinc/04/99/50/343049950.db2.gz XOHVJQATBIEXMW-UHFFFAOYSA-N -1 0 236.359 3.200 20 0 BGADRM CCc1[n-]n(C2CCC(C)(C)CC2)c(=O)c1C ZINC000634636280 343049679 /nfs/dbraw/zinc/04/96/79/343049679.db2.gz ZTAZQIJMWCNUPY-JTQLQIEISA-N -1 0 236.359 3.200 20 0 BGADRM CCc1[n-]n(C2CCC(C)(C)CC2)c(=O)c1C ZINC000634636281 343050027 /nfs/dbraw/zinc/05/00/27/343050027.db2.gz ZTAZQIJMWCNUPY-SNVBAGLBSA-N -1 0 236.359 3.200 20 0 BGADRM CCC[C@H](C)N=c1[n-]nc(-c2ccccc2)s1 ZINC000642092939 411392453 /nfs/dbraw/zinc/39/24/53/411392453.db2.gz IGSMHTYDEHUERE-JTQLQIEISA-N -1 0 247.367 3.228 20 0 BGADRM CCC[C@@H](C)N=c1[n-]nc(-c2ccccc2)s1 ZINC000642092940 411391861 /nfs/dbraw/zinc/39/18/61/411391861.db2.gz IGSMHTYDEHUERE-SNVBAGLBSA-N -1 0 247.367 3.228 20 0 BGADRM CCC(CC)N=c1[n-]nc(-c2ccccc2)s1 ZINC000642093489 362850834 /nfs/dbraw/zinc/85/08/34/362850834.db2.gz UXHDICGYPOLCBZ-UHFFFAOYSA-N -1 0 247.367 3.228 20 0 BGADRM Cc1cc(OCCC(C)(C)C)cc2c1C(=O)CO2 ZINC000642609382 368931347 /nfs/dbraw/zinc/93/13/47/368931347.db2.gz HMNSBLKVLUFNRX-UHFFFAOYSA-N -1 0 248.322 3.385 20 0 BGADRM Cc1cc(OCC2CCCC2)cc2c1C(=O)CO2 ZINC000642609473 368930933 /nfs/dbraw/zinc/93/09/33/368930933.db2.gz KAKPSGPTNIXRAG-UHFFFAOYSA-N -1 0 246.306 3.139 20 0 BGADRM C1=CCC(N=c2nc(C3CCCCC3)[n-]s2)C1 ZINC000643186316 385616824 /nfs/dbraw/zinc/61/68/24/385616824.db2.gz RQXOYLYGQUPZIC-UHFFFAOYSA-N -1 0 249.383 3.138 20 0 BGADRM O=C(CCCC1CC1)Nc1ccc(F)cc1O ZINC000643231421 398085301 /nfs/dbraw/zinc/08/53/01/398085301.db2.gz YZDQQRKAYYZHHQ-UHFFFAOYSA-N -1 0 237.274 3.050 20 0 BGADRM CCC(C)(C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000647776888 386563226 /nfs/dbraw/zinc/56/32/26/386563226.db2.gz ZMSRPPFDLYKIHK-UHFFFAOYSA-N -1 0 249.310 3.150 20 0 BGADRM CC1(C)CN(CCCCC(=O)[O-])c2ccccc21 ZINC000648407922 386554708 /nfs/dbraw/zinc/55/47/08/386554708.db2.gz PJHMDYGCDSEJFZ-UHFFFAOYSA-N -1 0 247.338 3.039 20 0 BGADRM O=C([O-])c1cccc(-c2cncc(C(F)F)c2)c1 ZINC000649381447 398189663 /nfs/dbraw/zinc/18/96/63/398189663.db2.gz KQVNIGLMWUQCJS-UHFFFAOYSA-N -1 0 249.216 3.384 20 0 BGADRM O=C([O-])c1ccccc1-c1cnc2occc2c1 ZINC000649381534 398189656 /nfs/dbraw/zinc/18/96/56/398189656.db2.gz OLQVTTHXRWCIPK-UHFFFAOYSA-N -1 0 239.230 3.193 20 0 BGADRM CCCC(C)(C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000652051371 411097278 /nfs/dbraw/zinc/09/72/78/411097278.db2.gz BTCCXPGNPUKCHF-UHFFFAOYSA-N -1 0 249.310 3.150 20 0 BGADRM CCCC(C)(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000652057454 411102398 /nfs/dbraw/zinc/10/23/98/411102398.db2.gz GCIIYFCKCDNSFG-UHFFFAOYSA-N -1 0 249.310 3.150 20 0 BGADRM Cc1cccc2c1CCN2CCCCCC(=O)[O-] ZINC000652404576 411229358 /nfs/dbraw/zinc/22/93/58/411229358.db2.gz FOSVAEHJNCHHDP-UHFFFAOYSA-N -1 0 247.338 3.003 20 0 BGADRM CC1([NH2+]Cc2cccc(O)c2Cl)CC=CC1 ZINC000655815790 411524816 /nfs/dbraw/zinc/52/48/16/411524816.db2.gz ILUROSQCDZSYFA-UHFFFAOYSA-N -1 0 237.730 3.244 20 0 BGADRM Cc1cc2[n-]c(C3CCCC3)nc(=O)c2s1 ZINC000656492157 411286917 /nfs/dbraw/zinc/28/69/17/411286917.db2.gz XONCIBLRTCRKNN-UHFFFAOYSA-N -1 0 234.324 3.363 20 0 BGADRM CC(C)(C)n1cc(-c2ccccc2)c(C(=O)[O-])n1 ZINC000657200945 411418050 /nfs/dbraw/zinc/41/80/50/411418050.db2.gz NBXOHCPXZOAMGG-UHFFFAOYSA-N -1 0 244.294 3.003 20 0 BGADRM O=C([O-])CCCc1ccc(-c2ccco2)s1 ZINC000657201159 411417778 /nfs/dbraw/zinc/41/77/78/411417778.db2.gz ULFJXMMSFBKJKQ-UHFFFAOYSA-N -1 0 236.292 3.415 20 0 BGADRM O=C([O-])c1c[nH]nc1-c1ccc(C2CCC2)cc1 ZINC000657204256 411417552 /nfs/dbraw/zinc/41/75/52/411417552.db2.gz MIYFQFAXQPLPOU-UHFFFAOYSA-N -1 0 242.278 3.042 20 0 BGADRM CC(C)n1cc(-c2cccs2)cc1C(=O)[O-] ZINC000657205013 411418930 /nfs/dbraw/zinc/41/89/30/411418930.db2.gz PRXIEYDCZWBJDI-UHFFFAOYSA-N -1 0 235.308 3.496 20 0 BGADRM Cc1oncc1-c1cccc(CCCC(=O)[O-])c1 ZINC000657205534 411418939 /nfs/dbraw/zinc/41/89/39/411418939.db2.gz ZDIWGRIQYSAAPF-UHFFFAOYSA-N -1 0 245.278 3.057 20 0 BGADRM Cc1ccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)o1 ZINC000657205634 411418561 /nfs/dbraw/zinc/41/85/61/411418561.db2.gz AXVWEUMHAVZXCZ-UHFFFAOYSA-N -1 0 242.274 3.371 20 0 BGADRM Cc1cocc1-c1cccc([C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000657205736 411418549 /nfs/dbraw/zinc/41/85/49/411418549.db2.gz CYAOQKSSDFHPFB-QWHCGFSZSA-N -1 0 242.274 3.443 20 0 BGADRM Cc1ccc(-c2nc(C(=O)[O-])c(C3CC3)s2)o1 ZINC000657205791 411418605 /nfs/dbraw/zinc/41/86/05/411418605.db2.gz KXPUCRJTVJVMBN-UHFFFAOYSA-N -1 0 249.291 3.287 20 0 BGADRM O=C([O-])c1c[nH]nc1-c1cccc(C2CCC2)c1 ZINC000657206103 411418861 /nfs/dbraw/zinc/41/88/61/411418861.db2.gz IODGCAGNSYCMCR-UHFFFAOYSA-N -1 0 242.278 3.042 20 0 BGADRM Cc1coc(-c2cccc([C@@H]3C[C@H]3C(=O)[O-])c2)c1 ZINC000657207511 411418547 /nfs/dbraw/zinc/41/85/47/411418547.db2.gz SQKUCOPYABXTJQ-QWHCGFSZSA-N -1 0 242.274 3.443 20 0 BGADRM C[C@H](CNc1cccc(CC(=O)[O-])c1)C(C)(C)C ZINC000666578090 487834446 /nfs/dbraw/zinc/83/44/46/487834446.db2.gz NCFPYNOZSQNBJW-LLVKDONJSA-N -1 0 249.354 3.408 20 0 BGADRM C[C@@H](CNc1cccc(CC(=O)[O-])c1)C(C)(C)C ZINC000666578091 487834271 /nfs/dbraw/zinc/83/42/71/487834271.db2.gz NCFPYNOZSQNBJW-NSHDSACASA-N -1 0 249.354 3.408 20 0 BGADRM C[C@H](CC1CCC1)Nc1cccc(CC(=O)[O-])c1 ZINC000666578145 487664102 /nfs/dbraw/zinc/66/41/02/487664102.db2.gz VAWMUXGEYWWTIF-LLVKDONJSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@@H](CC1CCC1)Nc1cccc(CC(=O)[O-])c1 ZINC000666578147 487663581 /nfs/dbraw/zinc/66/35/81/487663581.db2.gz VAWMUXGEYWWTIF-NSHDSACASA-N -1 0 247.338 3.304 20 0 BGADRM C[C@H]1CCC[C@H](Nc2cccc(CC(=O)[O-])c2)C1 ZINC000666579431 487834363 /nfs/dbraw/zinc/83/43/63/487834363.db2.gz VYFWBODDTFFXLA-AAEUAGOBSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@@H]1CCC[C@@H](Nc2cccc(CC(=O)[O-])c2)C1 ZINC000666579432 487834577 /nfs/dbraw/zinc/83/45/77/487834577.db2.gz VYFWBODDTFFXLA-DGCLKSJQSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@H]1CCC[C@@H](Nc2cccc(CC(=O)[O-])c2)C1 ZINC000666579433 487834310 /nfs/dbraw/zinc/83/43/10/487834310.db2.gz VYFWBODDTFFXLA-WCQYABFASA-N -1 0 247.338 3.304 20 0 BGADRM C[C@@H]1CCC[C@H](Nc2cccc(CC(=O)[O-])c2)C1 ZINC000666579434 487834491 /nfs/dbraw/zinc/83/44/91/487834491.db2.gz VYFWBODDTFFXLA-YPMHNXCESA-N -1 0 247.338 3.304 20 0 BGADRM CCC[C@@H](C)CNc1cccc(CC(=O)[O-])c1 ZINC000666579440 487834323 /nfs/dbraw/zinc/83/43/23/487834323.db2.gz XKDTUNCZMCHRIT-LLVKDONJSA-N -1 0 235.327 3.162 20 0 BGADRM CCC[C@H](C)CNc1cccc(CC(=O)[O-])c1 ZINC000666579441 487834240 /nfs/dbraw/zinc/83/42/40/487834240.db2.gz XKDTUNCZMCHRIT-NSHDSACASA-N -1 0 235.327 3.162 20 0 BGADRM Cc1cccc2c1CCCN2CCCCC(=O)[O-] ZINC000680019411 487519313 /nfs/dbraw/zinc/51/93/13/487519313.db2.gz YVIBYUCEAKMVHJ-UHFFFAOYSA-N -1 0 247.338 3.003 20 0 BGADRM CCc1cc(C)nc(Sc2ccc(O)cc2)n1 ZINC000680331735 487566194 /nfs/dbraw/zinc/56/61/94/487566194.db2.gz QWYWCWDDFMFVJC-UHFFFAOYSA-N -1 0 246.335 3.204 20 0 BGADRM CCC[C@H](C)CC(=O)Nc1ccccc1C(=O)[O-] ZINC000681680590 487839772 /nfs/dbraw/zinc/83/97/72/487839772.db2.gz OFQWCWITPFNQME-JTQLQIEISA-N -1 0 249.310 3.150 20 0 BGADRM CCC[C@@H](C)CC(=O)Nc1ccccc1C(=O)[O-] ZINC000681680591 487838747 /nfs/dbraw/zinc/83/87/47/487838747.db2.gz OFQWCWITPFNQME-SNVBAGLBSA-N -1 0 249.310 3.150 20 0 BGADRM CCC(CC)CC(=O)Nc1ccccc1C(=O)[O-] ZINC000683327415 488147260 /nfs/dbraw/zinc/14/72/60/488147260.db2.gz SZWXIBZHGXVDJZ-UHFFFAOYSA-N -1 0 249.310 3.150 20 0 BGADRM O=C(CCC(F)F)Nc1cccc(Cl)c1[O-] ZINC000684471540 488318359 /nfs/dbraw/zinc/31/83/59/488318359.db2.gz UPOHSJHZFAPLIU-UHFFFAOYSA-N -1 0 249.644 3.029 20 0 BGADRM CCSc1cccc(N[C@H](C)CC(=O)[O-])c1 ZINC000690181514 598218324 /nfs/dbraw/zinc/21/83/24/598218324.db2.gz OVXFVHACYRVIPA-SECBINFHSA-N -1 0 239.340 3.074 20 0 BGADRM CCSc1cccc(N[C@@H](C)CC(=O)[O-])c1 ZINC000690181516 598218307 /nfs/dbraw/zinc/21/83/07/598218307.db2.gz OVXFVHACYRVIPA-VIFPVBQESA-N -1 0 239.340 3.074 20 0 BGADRM CCC(C)(C)CC(=O)Nc1ccccc1C(=O)[O-] ZINC000696246952 601058013 /nfs/dbraw/zinc/05/80/13/601058013.db2.gz DGFSNAVEPXJMCQ-UHFFFAOYSA-N -1 0 249.310 3.150 20 0 BGADRM CCC(C)(C)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000696251443 601058020 /nfs/dbraw/zinc/05/80/20/601058020.db2.gz XJYPQBFGJWKEAV-UHFFFAOYSA-N -1 0 249.310 3.150 20 0 BGADRM CCC(C)(C)CCS[C@H](C)C(=O)[O-] ZINC000696748220 597164187 /nfs/dbraw/zinc/16/41/87/597164187.db2.gz ARZCFQUEIJHHON-MRVPVSSYSA-N -1 0 204.335 3.019 20 0 BGADRM CCC(C)(C)CCS[C@@H](C)C(=O)[O-] ZINC000696748222 597164234 /nfs/dbraw/zinc/16/42/34/597164234.db2.gz ARZCFQUEIJHHON-QMMMGPOBSA-N -1 0 204.335 3.019 20 0 BGADRM CCC(C)(C)CCS[C@H](C)CC(=O)[O-] ZINC000696754914 600839534 /nfs/dbraw/zinc/83/95/34/600839534.db2.gz BAMDSEWPAULACP-SECBINFHSA-N -1 0 218.362 3.409 20 0 BGADRM CCC(C)(C)CCS[C@@H](C)CC(=O)[O-] ZINC000696754915 600839552 /nfs/dbraw/zinc/83/95/52/600839552.db2.gz BAMDSEWPAULACP-VIFPVBQESA-N -1 0 218.362 3.409 20 0 BGADRM CCC(C)(C)CCSC[C@@H](C)C(=O)[O-] ZINC000696756478 600839588 /nfs/dbraw/zinc/83/95/88/600839588.db2.gz HUQMHJQIZJSUCC-SECBINFHSA-N -1 0 218.362 3.267 20 0 BGADRM CCC(C)(C)CCSC[C@H](C)C(=O)[O-] ZINC000696756482 600839598 /nfs/dbraw/zinc/83/95/98/600839598.db2.gz HUQMHJQIZJSUCC-VIFPVBQESA-N -1 0 218.362 3.267 20 0 BGADRM Cc1ccc(C(=O)[O-])cc1NCCC(F)(F)F ZINC000698528984 600710656 /nfs/dbraw/zinc/71/06/56/600710656.db2.gz IGENUBIZQRKTKR-UHFFFAOYSA-N -1 0 247.216 3.058 20 0 BGADRM Cc1c(NCCC(F)(F)F)cccc1C(=O)[O-] ZINC000698533372 600710779 /nfs/dbraw/zinc/71/07/79/600710779.db2.gz VJXBMSYEEYFMKK-UHFFFAOYSA-N -1 0 247.216 3.058 20 0 BGADRM CC(C)C[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000704741529 712114820 /nfs/dbraw/zinc/11/48/20/712114820.db2.gz WCDFTQDWKQEVDF-JTQLQIEISA-N -1 0 249.310 3.006 20 0 BGADRM CC(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000704741531 712114721 /nfs/dbraw/zinc/11/47/21/712114721.db2.gz WCDFTQDWKQEVDF-SNVBAGLBSA-N -1 0 249.310 3.006 20 0 BGADRM CC(C)C[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000704742113 712114791 /nfs/dbraw/zinc/11/47/91/712114791.db2.gz ZCRYOCATIRGQBQ-JTQLQIEISA-N -1 0 249.310 3.006 20 0 BGADRM CC(C)C[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000704742114 712114985 /nfs/dbraw/zinc/11/49/85/712114985.db2.gz ZCRYOCATIRGQBQ-SNVBAGLBSA-N -1 0 249.310 3.006 20 0 BGADRM Cc1ccc(-c2cnc(C3CC3)o2)cc1C(=O)[O-] ZINC000707614262 712176162 /nfs/dbraw/zinc/17/61/62/712176162.db2.gz BWLZUHFBGXQBDH-UHFFFAOYSA-N -1 0 243.262 3.226 20 0 BGADRM Cc1ccc(C(=O)[O-])c(-c2cnc(C3CC3)o2)c1 ZINC000707614380 712175984 /nfs/dbraw/zinc/17/59/84/712175984.db2.gz FHVPGAALXDOPOK-UHFFFAOYSA-N -1 0 243.262 3.226 20 0 BGADRM Cc1ccc(-c2cnc(C3CC3)o2)c(C(=O)[O-])c1 ZINC000707614557 712176497 /nfs/dbraw/zinc/17/64/97/712176497.db2.gz JRGYHCLUZJDFEZ-UHFFFAOYSA-N -1 0 243.262 3.226 20 0 BGADRM Cc1cccc(-c2cnc(C3CC3)o2)c1C(=O)[O-] ZINC000707615171 712176051 /nfs/dbraw/zinc/17/60/51/712176051.db2.gz UYLQSKKVUHISNO-UHFFFAOYSA-N -1 0 243.262 3.226 20 0 BGADRM Cc1ccc(C(=O)[O-])cc1-c1cnc(C2CC2)o1 ZINC000707615474 712175860 /nfs/dbraw/zinc/17/58/60/712175860.db2.gz YLWLKABAECZMTQ-UHFFFAOYSA-N -1 0 243.262 3.226 20 0 BGADRM Cc1cc(C(=O)[O-])cc(-c2cnc(C3CC3)o2)c1 ZINC000707617509 712176248 /nfs/dbraw/zinc/17/62/48/712176248.db2.gz HHYNPWHNXFGTAU-UHFFFAOYSA-N -1 0 243.262 3.226 20 0 BGADRM Cc1cc(C(=O)[O-])ccc1-c1cnc(C2CC2)o1 ZINC000707618044 712176157 /nfs/dbraw/zinc/17/61/57/712176157.db2.gz PANKCCNNWVOZAB-UHFFFAOYSA-N -1 0 243.262 3.226 20 0 BGADRM Cc1c(C(=O)[O-])cccc1-c1cnc(C2CC2)o1 ZINC000707618801 712175881 /nfs/dbraw/zinc/17/58/81/712175881.db2.gz ZIMAYKPGQUSSHU-UHFFFAOYSA-N -1 0 243.262 3.226 20 0 BGADRM CC(C)(C)n1cc(-c2ccccc2C(=O)[O-])cn1 ZINC000714290380 712481628 /nfs/dbraw/zinc/48/16/28/712481628.db2.gz NLKJBRFHYZONLI-UHFFFAOYSA-N -1 0 244.294 3.003 20 0 BGADRM CC(C)(C)n1cc(-c2ccc(C(=O)[O-])cc2)cn1 ZINC000714295091 712481822 /nfs/dbraw/zinc/48/18/22/712481822.db2.gz HDFYZNPMILKRLO-UHFFFAOYSA-N -1 0 244.294 3.003 20 0 BGADRM CC(C)(C)n1cc(-c2cccc(C(=O)[O-])c2)cn1 ZINC000714296671 712481545 /nfs/dbraw/zinc/48/15/45/712481545.db2.gz XWVNTPYWHGANAZ-UHFFFAOYSA-N -1 0 244.294 3.003 20 0 BGADRM O=C(OCC1CCC1)c1cc([S-])ccc1F ZINC000719723478 712822664 /nfs/dbraw/zinc/82/26/64/712822664.db2.gz DJYUYERNNQVUCE-UHFFFAOYSA-N -1 0 240.299 3.071 20 0 BGADRM CCC(CC)OC(=O)c1cc([S-])ccc1F ZINC000721600154 711657116 /nfs/dbraw/zinc/65/71/16/711657116.db2.gz OXKBZPLSRWNHFZ-UHFFFAOYSA-N -1 0 242.315 3.460 20 0 BGADRM CC(C)(C)CN(Cc1ccccc1)C(=O)[O-] ZINC000736261571 584994964 /nfs/dbraw/zinc/99/49/64/584994964.db2.gz VGYQJIUVCZEXPG-UHFFFAOYSA-N -1 0 221.300 3.213 20 0 BGADRM CC(C)(CCCc1ccccc1)CNC(=O)[O-] ZINC000736319940 584997745 /nfs/dbraw/zinc/99/77/45/584997745.db2.gz CMJBOXOIMYMWRT-UHFFFAOYSA-N -1 0 235.327 3.303 20 0 BGADRM CC(C)(CNC(=O)[O-])c1ccc(F)cc1Cl ZINC000736321389 584997760 /nfs/dbraw/zinc/99/77/60/584997760.db2.gz ARYDCALNPLOEMB-UHFFFAOYSA-N -1 0 245.681 3.024 20 0 BGADRM CCC(CC)Sc1ccccc1-c1nn[nH]n1 ZINC000736348367 584998533 /nfs/dbraw/zinc/99/85/33/584998533.db2.gz AENJUEYKBDZUCI-UHFFFAOYSA-N -1 0 248.355 3.147 20 0 BGADRM CC(C)CC[C@@H](NC(=O)[O-])C(C)(C)C ZINC000736427772 585001738 /nfs/dbraw/zinc/00/17/38/585001738.db2.gz UGVDRPNBBLBJBA-SECBINFHSA-N -1 0 201.310 3.105 20 0 BGADRM CC(C)CC[C@H](NC(=O)[O-])C(C)(C)C ZINC000736427780 585001825 /nfs/dbraw/zinc/00/18/25/585001825.db2.gz UGVDRPNBBLBJBA-VIFPVBQESA-N -1 0 201.310 3.105 20 0 BGADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)[O-] ZINC000736471617 585003809 /nfs/dbraw/zinc/00/38/09/585003809.db2.gz IQHPBDUFUUJWRZ-UHFFFAOYSA-N -1 0 227.691 3.228 20 0 BGADRM CC(C)c1ccc(C(C)(C)NC(=O)[O-])cc1 ZINC000736513230 585004946 /nfs/dbraw/zinc/00/49/46/585004946.db2.gz SLHREPBWUVHZKL-UHFFFAOYSA-N -1 0 221.300 3.313 20 0 BGADRM CC(C)c1ccc(CCCNC(=O)[O-])cc1 ZINC000736513853 585004357 /nfs/dbraw/zinc/00/43/57/585004357.db2.gz KILJSGHAKDDJDJ-UHFFFAOYSA-N -1 0 221.300 3.010 20 0 BGADRM C[C@H](CC(=O)[O-])S[C@@H](C)c1cccc(F)c1 ZINC000736551819 585005709 /nfs/dbraw/zinc/00/57/09/585005709.db2.gz KUGXTIRMLZMWIP-BDAKNGLRSA-N -1 0 242.315 3.483 20 0 BGADRM C[C@@H](S[C@@H](C)CC(=O)[O-])c1cccc(F)c1 ZINC000736551820 585005600 /nfs/dbraw/zinc/00/56/00/585005600.db2.gz KUGXTIRMLZMWIP-DTWKUNHWSA-N -1 0 242.315 3.483 20 0 BGADRM C[C@@H](CC(=O)[O-])S[C@@H](C)c1cccc(F)c1 ZINC000736551821 585005534 /nfs/dbraw/zinc/00/55/34/585005534.db2.gz KUGXTIRMLZMWIP-IUCAKERBSA-N -1 0 242.315 3.483 20 0 BGADRM C[C@H](CC(=O)[O-])S[C@H](C)c1cccc(F)c1 ZINC000736551822 585005652 /nfs/dbraw/zinc/00/56/52/585005652.db2.gz KUGXTIRMLZMWIP-RKDXNWHRSA-N -1 0 242.315 3.483 20 0 BGADRM C[C@H](CC(=O)[O-])S[C@@H](C)c1ccccc1F ZINC000736552742 585005674 /nfs/dbraw/zinc/00/56/74/585005674.db2.gz PHHDSGMDUCTLSW-BDAKNGLRSA-N -1 0 242.315 3.483 20 0 BGADRM C[C@@H](S[C@@H](C)CC(=O)[O-])c1ccccc1F ZINC000736552745 585005535 /nfs/dbraw/zinc/00/55/35/585005535.db2.gz PHHDSGMDUCTLSW-DTWKUNHWSA-N -1 0 242.315 3.483 20 0 BGADRM C[C@@H](CC(=O)[O-])S[C@@H](C)c1ccccc1F ZINC000736552746 585005564 /nfs/dbraw/zinc/00/55/64/585005564.db2.gz PHHDSGMDUCTLSW-IUCAKERBSA-N -1 0 242.315 3.483 20 0 BGADRM C[C@H](CC(=O)[O-])S[C@H](C)c1ccccc1F ZINC000736552749 585005788 /nfs/dbraw/zinc/00/57/88/585005788.db2.gz PHHDSGMDUCTLSW-RKDXNWHRSA-N -1 0 242.315 3.483 20 0 BGADRM C[C@H](CC(=O)[O-])S[C@@H](C)c1ccc(F)cc1 ZINC000736552964 585005562 /nfs/dbraw/zinc/00/55/62/585005562.db2.gz QAYOEVGXYRBHJY-BDAKNGLRSA-N -1 0 242.315 3.483 20 0 BGADRM C[C@@H](S[C@@H](C)CC(=O)[O-])c1ccc(F)cc1 ZINC000736552965 585005526 /nfs/dbraw/zinc/00/55/26/585005526.db2.gz QAYOEVGXYRBHJY-DTWKUNHWSA-N -1 0 242.315 3.483 20 0 BGADRM C[C@@H](CC(=O)[O-])S[C@@H](C)c1ccc(F)cc1 ZINC000736552966 585005760 /nfs/dbraw/zinc/00/57/60/585005760.db2.gz QAYOEVGXYRBHJY-IUCAKERBSA-N -1 0 242.315 3.483 20 0 BGADRM C[C@H](CC(=O)[O-])S[C@H](C)c1ccc(F)cc1 ZINC000736552967 585005623 /nfs/dbraw/zinc/00/56/23/585005623.db2.gz QAYOEVGXYRBHJY-RKDXNWHRSA-N -1 0 242.315 3.483 20 0 BGADRM C[C@@H](CNC(=O)[O-])c1c(Cl)cccc1Cl ZINC000736597882 585007369 /nfs/dbraw/zinc/00/73/69/585007369.db2.gz CGVHORRRYNLDBD-LURJTMIESA-N -1 0 248.109 3.365 20 0 BGADRM C[C@H](CNC(=O)[O-])c1c(Cl)cccc1Cl ZINC000736597883 585007362 /nfs/dbraw/zinc/00/73/62/585007362.db2.gz CGVHORRRYNLDBD-ZCFIWIBFSA-N -1 0 248.109 3.365 20 0 BGADRM C[C@H](CS[C@@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC000736615665 585006978 /nfs/dbraw/zinc/00/69/78/585006978.db2.gz IFBNFUMAQPJYJX-BDAKNGLRSA-N -1 0 242.315 3.341 20 0 BGADRM C[C@@H](CS[C@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC000736615666 585007287 /nfs/dbraw/zinc/00/72/87/585007287.db2.gz IFBNFUMAQPJYJX-DTWKUNHWSA-N -1 0 242.315 3.341 20 0 BGADRM C[C@@H](CS[C@@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC000736615979 585007091 /nfs/dbraw/zinc/00/70/91/585007091.db2.gz IFBNFUMAQPJYJX-IUCAKERBSA-N -1 0 242.315 3.341 20 0 BGADRM C[C@@H](SC[C@@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000736615981 585007190 /nfs/dbraw/zinc/00/71/90/585007190.db2.gz IFBNFUMAQPJYJX-RKDXNWHRSA-N -1 0 242.315 3.341 20 0 BGADRM C[C@H](CS[C@@H](C)c1cccc(F)c1)C(=O)[O-] ZINC000736619520 585007380 /nfs/dbraw/zinc/00/73/80/585007380.db2.gz UWNGPXDVOHIKBG-BDAKNGLRSA-N -1 0 242.315 3.341 20 0 BGADRM C[C@@H](CS[C@H](C)c1cccc(F)c1)C(=O)[O-] ZINC000736619522 585007575 /nfs/dbraw/zinc/00/75/75/585007575.db2.gz UWNGPXDVOHIKBG-DTWKUNHWSA-N -1 0 242.315 3.341 20 0 BGADRM C[C@@H](CS[C@@H](C)c1cccc(F)c1)C(=O)[O-] ZINC000736619524 585007550 /nfs/dbraw/zinc/00/75/50/585007550.db2.gz UWNGPXDVOHIKBG-IUCAKERBSA-N -1 0 242.315 3.341 20 0 BGADRM C[C@@H](SC[C@@H](C)C(=O)[O-])c1cccc(F)c1 ZINC000736619526 585007440 /nfs/dbraw/zinc/00/74/40/585007440.db2.gz UWNGPXDVOHIKBG-RKDXNWHRSA-N -1 0 242.315 3.341 20 0 BGADRM C[C@H](CS[C@@H](C)c1ccccc1F)C(=O)[O-] ZINC000736620058 585008009 /nfs/dbraw/zinc/00/80/09/585008009.db2.gz WJTXPFFXNMRJEF-BDAKNGLRSA-N -1 0 242.315 3.341 20 0 BGADRM C[C@@H](CS[C@H](C)c1ccccc1F)C(=O)[O-] ZINC000736620059 585008081 /nfs/dbraw/zinc/00/80/81/585008081.db2.gz WJTXPFFXNMRJEF-DTWKUNHWSA-N -1 0 242.315 3.341 20 0 BGADRM C[C@@H](CS[C@@H](C)c1ccccc1F)C(=O)[O-] ZINC000736620062 585008237 /nfs/dbraw/zinc/00/82/37/585008237.db2.gz WJTXPFFXNMRJEF-IUCAKERBSA-N -1 0 242.315 3.341 20 0 BGADRM C[C@@H](SC[C@@H](C)C(=O)[O-])c1ccccc1F ZINC000736620063 585008197 /nfs/dbraw/zinc/00/81/97/585008197.db2.gz WJTXPFFXNMRJEF-RKDXNWHRSA-N -1 0 242.315 3.341 20 0 BGADRM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[O-] ZINC000736622874 585008255 /nfs/dbraw/zinc/00/82/55/585008255.db2.gz WAGCVTGRPYAWLA-LURJTMIESA-N -1 0 248.109 3.192 20 0 BGADRM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[O-] ZINC000736622875 585008368 /nfs/dbraw/zinc/00/83/68/585008368.db2.gz WAGCVTGRPYAWLA-ZCFIWIBFSA-N -1 0 248.109 3.192 20 0 BGADRM C[C@@H](NC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000736648958 585008477 /nfs/dbraw/zinc/00/84/77/585008477.db2.gz ACCXYAUOSLKVEA-MRVPVSSYSA-N -1 0 248.307 3.139 20 0 BGADRM C[C@H](NC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000736648959 585008465 /nfs/dbraw/zinc/00/84/65/585008465.db2.gz ACCXYAUOSLKVEA-QMMMGPOBSA-N -1 0 248.307 3.139 20 0 BGADRM C[C@@H](NC(=O)[O-])c1csc2ccccc21 ZINC000736649467 585008548 /nfs/dbraw/zinc/00/85/48/585008548.db2.gz GJEQNKZHMBRALF-SSDOTTSWSA-N -1 0 221.281 3.230 20 0 BGADRM C[C@H](NC(=O)[O-])c1csc2ccccc21 ZINC000736649468 585008441 /nfs/dbraw/zinc/00/84/41/585008441.db2.gz GJEQNKZHMBRALF-ZETCQYMHSA-N -1 0 221.281 3.230 20 0 BGADRM C[C@@H](NC(=O)[O-])c1cccc(Cl)c1Cl ZINC000736649509 585008499 /nfs/dbraw/zinc/00/84/99/585008499.db2.gz HTACOQMWWFXAHA-RXMQYKEDSA-N -1 0 234.082 3.322 20 0 BGADRM C[C@H](NC(=O)[O-])c1cccc(Cl)c1Cl ZINC000736649510 585008581 /nfs/dbraw/zinc/00/85/81/585008581.db2.gz HTACOQMWWFXAHA-YFKPBYRVSA-N -1 0 234.082 3.322 20 0 BGADRM C[C@@H](NC(=O)[O-])c1cc2ccccc2s1 ZINC000736650365 585008766 /nfs/dbraw/zinc/00/87/66/585008766.db2.gz NFTLEUGWYTUHCQ-SSDOTTSWSA-N -1 0 221.281 3.230 20 0 BGADRM C[C@H](NC(=O)[O-])c1cc2ccccc2s1 ZINC000736650366 585008800 /nfs/dbraw/zinc/00/88/00/585008800.db2.gz NFTLEUGWYTUHCQ-ZETCQYMHSA-N -1 0 221.281 3.230 20 0 BGADRM CC(NC(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000736651487 585008881 /nfs/dbraw/zinc/00/88/81/585008881.db2.gz VMVUNZHGEYDGFB-UHFFFAOYSA-N -1 0 241.290 3.218 20 0 BGADRM C[C@H](S[C@@H](C)c1cccs1)C(=O)[O-] ZINC000736707271 600986272 /nfs/dbraw/zinc/98/62/72/600986272.db2.gz FIKFEWFPOAQPKJ-BQBZGAKWSA-N -1 0 216.327 3.015 20 0 BGADRM C[C@@H](S[C@@H](C)c1cccs1)C(=O)[O-] ZINC000736707280 600986252 /nfs/dbraw/zinc/98/62/52/600986252.db2.gz FIKFEWFPOAQPKJ-NKWVEPMBSA-N -1 0 216.327 3.015 20 0 BGADRM C[C@@H](S[C@H](C)c1cccs1)C(=O)[O-] ZINC000736707282 600986474 /nfs/dbraw/zinc/98/64/74/600986474.db2.gz FIKFEWFPOAQPKJ-RNFRBKRXSA-N -1 0 216.327 3.015 20 0 BGADRM C[C@@H](S[C@@H](C)C(=O)[O-])c1cccs1 ZINC000736707285 600986294 /nfs/dbraw/zinc/98/62/94/600986294.db2.gz FIKFEWFPOAQPKJ-RQJHMYQMSA-N -1 0 216.327 3.015 20 0 BGADRM C[C@H](S[C@@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000736707896 600985422 /nfs/dbraw/zinc/98/54/22/600985422.db2.gz FWICXKUJOICQDW-BQBZGAKWSA-N -1 0 246.278 3.232 20 0 BGADRM C[C@@H](S[C@@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000736707910 600985177 /nfs/dbraw/zinc/98/51/77/600985177.db2.gz FWICXKUJOICQDW-NKWVEPMBSA-N -1 0 246.278 3.232 20 0 BGADRM C[C@@H](S[C@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000736707911 600985149 /nfs/dbraw/zinc/98/51/49/600985149.db2.gz FWICXKUJOICQDW-RNFRBKRXSA-N -1 0 246.278 3.232 20 0 BGADRM C[C@@H](S[C@@H](C)C(=O)[O-])c1c(F)cccc1F ZINC000736707912 600985385 /nfs/dbraw/zinc/98/53/85/600985385.db2.gz FWICXKUJOICQDW-RQJHMYQMSA-N -1 0 246.278 3.232 20 0 BGADRM C[C@@H](SCCC(=O)[O-])c1cccs1 ZINC000736710109 585010148 /nfs/dbraw/zinc/01/01/48/585010148.db2.gz ZLRBVUFOUDFDQO-SSDOTTSWSA-N -1 0 216.327 3.017 20 0 BGADRM C[C@H](SCCC(=O)[O-])c1cccs1 ZINC000736710110 585010216 /nfs/dbraw/zinc/01/02/16/585010216.db2.gz ZLRBVUFOUDFDQO-ZETCQYMHSA-N -1 0 216.327 3.017 20 0 BGADRM C[C@@H](SCCCC(=O)[O-])c1cccs1 ZINC000736710111 585010181 /nfs/dbraw/zinc/01/01/81/585010181.db2.gz ZMBKDUFJSRUPAW-MRVPVSSYSA-N -1 0 230.354 3.407 20 0 BGADRM C[C@H](SCCCC(=O)[O-])c1cccs1 ZINC000736710112 585010054 /nfs/dbraw/zinc/01/00/54/585010054.db2.gz ZMBKDUFJSRUPAW-QMMMGPOBSA-N -1 0 230.354 3.407 20 0 BGADRM C[C@@H]1C[C@H]1[C@H](NC(=O)[O-])c1ccc(Cl)cc1 ZINC000736765863 585011936 /nfs/dbraw/zinc/01/19/36/585011936.db2.gz MJGOZXLQRFHNNC-AVPPRXQKSA-N -1 0 239.702 3.305 20 0 BGADRM C[C@@H]1C[C@@H]1[C@@H](NC(=O)[O-])c1ccc(Cl)cc1 ZINC000736765864 585011899 /nfs/dbraw/zinc/01/18/99/585011899.db2.gz MJGOZXLQRFHNNC-GGVZMXCHSA-N -1 0 239.702 3.305 20 0 BGADRM C[C@@H]1C[C@H]1[C@@H](NC(=O)[O-])c1ccc(Cl)cc1 ZINC000736765865 585011884 /nfs/dbraw/zinc/01/18/84/585011884.db2.gz MJGOZXLQRFHNNC-ONOSFVFSSA-N -1 0 239.702 3.305 20 0 BGADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)[O-])c1ccc(Cl)cc1 ZINC000736765866 585011843 /nfs/dbraw/zinc/01/18/43/585011843.db2.gz MJGOZXLQRFHNNC-PPKCKEKNSA-N -1 0 239.702 3.305 20 0 BGADRM C/C=C\CSCc1cc(C(=O)[O-])c(C)o1 ZINC000736833893 585017208 /nfs/dbraw/zinc/01/72/08/585017208.db2.gz GAONZSWWPCWNIS-ARJAWSKDSA-N -1 0 226.297 3.096 20 0 BGADRM C/C=C/CSCc1cc(C(=O)[O-])c(C)o1 ZINC000736833895 585017100 /nfs/dbraw/zinc/01/71/00/585017100.db2.gz GAONZSWWPCWNIS-ONEGZZNKSA-N -1 0 226.297 3.096 20 0 BGADRM C/C=C\CSCc1ccc(C(=O)[O-])cc1 ZINC000736836111 585017096 /nfs/dbraw/zinc/01/70/96/585017096.db2.gz PMEJPBQUQRASHD-IHWYPQMZSA-N -1 0 222.309 3.194 20 0 BGADRM C/C=C/CSCc1ccc(C(=O)[O-])cc1 ZINC000736836113 585017073 /nfs/dbraw/zinc/01/70/73/585017073.db2.gz PMEJPBQUQRASHD-NSCUHMNNSA-N -1 0 222.309 3.194 20 0 BGADRM C/C=C\CSCc1cccc(C(=O)[O-])c1 ZINC000736836852 585017193 /nfs/dbraw/zinc/01/71/93/585017193.db2.gz UERNGQVYAXCKMM-IHWYPQMZSA-N -1 0 222.309 3.194 20 0 BGADRM C/C=C/CSCc1cccc(C(=O)[O-])c1 ZINC000736836854 585017148 /nfs/dbraw/zinc/01/71/48/585017148.db2.gz UERNGQVYAXCKMM-NSCUHMNNSA-N -1 0 222.309 3.194 20 0 BGADRM CCC(CC)SCc1cc(C(=O)[O-])co1 ZINC000736900869 585019242 /nfs/dbraw/zinc/01/92/42/585019242.db2.gz TYXHNIPAQMUYGL-UHFFFAOYSA-N -1 0 228.313 3.400 20 0 BGADRM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[O-] ZINC000736904353 585019259 /nfs/dbraw/zinc/01/92/59/585019259.db2.gz SYJXDCRZPKKQIH-CYBMUJFWSA-N -1 0 235.327 3.316 20 0 BGADRM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[O-] ZINC000736904354 585019271 /nfs/dbraw/zinc/01/92/71/585019271.db2.gz SYJXDCRZPKKQIH-ZDUSSCGKSA-N -1 0 235.327 3.316 20 0 BGADRM CC[C@@H](NC(=O)[O-])C(C)(C)c1ccccc1 ZINC000736913981 585019015 /nfs/dbraw/zinc/01/90/15/585019015.db2.gz KZRMWDGIVGLNSB-LLVKDONJSA-N -1 0 221.300 3.010 20 0 BGADRM CC[C@H](NC(=O)[O-])C(C)(C)c1ccccc1 ZINC000736913982 585019065 /nfs/dbraw/zinc/01/90/65/585019065.db2.gz KZRMWDGIVGLNSB-NSHDSACASA-N -1 0 221.300 3.010 20 0 BGADRM CC[C@@H](NC(=O)[O-])c1ccc(Cl)s1 ZINC000736914525 585019478 /nfs/dbraw/zinc/01/94/78/585019478.db2.gz UYIVAZKWCBVRPN-RXMQYKEDSA-N -1 0 219.693 3.120 20 0 BGADRM CC[C@H](NC(=O)[O-])c1ccc(Cl)s1 ZINC000736914526 585019412 /nfs/dbraw/zinc/01/94/12/585019412.db2.gz UYIVAZKWCBVRPN-YFKPBYRVSA-N -1 0 219.693 3.120 20 0 BGADRM CC[C@@H](S[C@H](C)c1cccs1)C(=O)[O-] ZINC000736927278 585019343 /nfs/dbraw/zinc/01/93/43/585019343.db2.gz CVEAEGJVSVQIKN-HTQZYQBOSA-N -1 0 230.354 3.406 20 0 BGADRM CC[C@@H](S[C@@H](C)c1cccs1)C(=O)[O-] ZINC000736927279 585019425 /nfs/dbraw/zinc/01/94/25/585019425.db2.gz CVEAEGJVSVQIKN-JGVFFNPUSA-N -1 0 230.354 3.406 20 0 BGADRM CC[C@H](S[C@H](C)c1cccs1)C(=O)[O-] ZINC000736927281 585019468 /nfs/dbraw/zinc/01/94/68/585019468.db2.gz CVEAEGJVSVQIKN-SFYZADRCSA-N -1 0 230.354 3.406 20 0 BGADRM CC[C@H](S[C@@H](C)c1cccs1)C(=O)[O-] ZINC000736927283 585019366 /nfs/dbraw/zinc/01/93/66/585019366.db2.gz CVEAEGJVSVQIKN-YUMQZZPRSA-N -1 0 230.354 3.406 20 0 BGADRM CC[C@H](SCC(=O)[O-])c1ccc(F)cc1F ZINC000736927890 585019352 /nfs/dbraw/zinc/01/93/52/585019352.db2.gz GNSGIKRZUUOMLL-JTQLQIEISA-N -1 0 246.278 3.234 20 0 BGADRM CC[C@@H](SCC(=O)[O-])c1ccc(F)cc1F ZINC000736927893 585019510 /nfs/dbraw/zinc/01/95/10/585019510.db2.gz GNSGIKRZUUOMLL-SNVBAGLBSA-N -1 0 246.278 3.234 20 0 BGADRM CC[C@H](SCC(=O)[O-])c1ccc(F)cc1 ZINC000736927910 585019567 /nfs/dbraw/zinc/01/95/67/585019567.db2.gz GVFGEGUYZAAVQY-JTQLQIEISA-N -1 0 228.288 3.095 20 0 BGADRM CC[C@@H](SCC(=O)[O-])c1ccc(F)cc1 ZINC000736927912 585019329 /nfs/dbraw/zinc/01/93/29/585019329.db2.gz GVFGEGUYZAAVQY-SNVBAGLBSA-N -1 0 228.288 3.095 20 0 BGADRM CCCC(CCC)S[C@H](C)C(=O)[O-] ZINC000736970406 600985137 /nfs/dbraw/zinc/98/51/37/600985137.db2.gz MAQOQQLEDYOROL-MRVPVSSYSA-N -1 0 204.335 3.162 20 0 BGADRM CCCC(CCC)S[C@@H](C)C(=O)[O-] ZINC000736970409 600985223 /nfs/dbraw/zinc/98/52/23/600985223.db2.gz MAQOQQLEDYOROL-QMMMGPOBSA-N -1 0 204.335 3.162 20 0 BGADRM CCC[C@H](CCc1ccccc1)NC(=O)[O-] ZINC000736971265 603121239 /nfs/dbraw/zinc/12/12/39/603121239.db2.gz SCONBSAVVCTDMZ-GFCCVEGCSA-N -1 0 221.300 3.056 20 0 BGADRM CCC[C@@H](CCc1ccccc1)NC(=O)[O-] ZINC000736971266 603121094 /nfs/dbraw/zinc/12/10/94/603121094.db2.gz SCONBSAVVCTDMZ-LBPRGKRZSA-N -1 0 221.300 3.056 20 0 BGADRM CCCC[C@@H](NC(=O)[O-])c1ccc(OC)cc1 ZINC000736981203 585021456 /nfs/dbraw/zinc/02/14/56/585021456.db2.gz FMXUNIQKLQDOGP-GFCCVEGCSA-N -1 0 237.299 3.194 20 0 BGADRM CCCC[C@H](NC(=O)[O-])c1ccc(OC)cc1 ZINC000736981206 585021419 /nfs/dbraw/zinc/02/14/19/585021419.db2.gz FMXUNIQKLQDOGP-LBPRGKRZSA-N -1 0 237.299 3.194 20 0 BGADRM CCCCC[C@@H](NC(=O)[O-])C(C)(C)C ZINC000736984562 600620960 /nfs/dbraw/zinc/62/09/60/600620960.db2.gz NBVONXYPRVDTQK-SECBINFHSA-N -1 0 201.310 3.249 20 0 BGADRM CCCCC[C@H](NC(=O)[O-])C(C)(C)C ZINC000736984563 600620991 /nfs/dbraw/zinc/62/09/91/600620991.db2.gz NBVONXYPRVDTQK-VIFPVBQESA-N -1 0 201.310 3.249 20 0 BGADRM CCCC[C@H](Sc1ccc(C)cn1)C(=O)[O-] ZINC000736986083 585021657 /nfs/dbraw/zinc/02/16/57/585021657.db2.gz SSDRPELWCIBLME-JTQLQIEISA-N -1 0 239.340 3.126 20 0 BGADRM CCCC[C@@H](Sc1ccc(C)cn1)C(=O)[O-] ZINC000736986084 585021660 /nfs/dbraw/zinc/02/16/60/585021660.db2.gz SSDRPELWCIBLME-SNVBAGLBSA-N -1 0 239.340 3.126 20 0 BGADRM CCCN(C(=O)[O-])c1ccc(Cl)cc1 ZINC000737008125 585022216 /nfs/dbraw/zinc/02/22/16/585022216.db2.gz CGDFVEOVVAWTAL-UHFFFAOYSA-N -1 0 213.664 3.234 20 0 BGADRM CCSc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000737228695 585027742 /nfs/dbraw/zinc/02/77/42/585027742.db2.gz DZJABLQGFDYGCJ-MRVPVSSYSA-N -1 0 225.313 3.127 20 0 BGADRM CCSc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000737228697 585027646 /nfs/dbraw/zinc/02/76/46/585027646.db2.gz DZJABLQGFDYGCJ-QMMMGPOBSA-N -1 0 225.313 3.127 20 0 BGADRM CCc1ccc([C@H]2CCCCCN2C(=O)[O-])o1 ZINC000737259760 585027918 /nfs/dbraw/zinc/02/79/18/585027918.db2.gz XFUSASSOGYIZAH-LLVKDONJSA-N -1 0 237.299 3.437 20 0 BGADRM CCc1ccc([C@@H]2CCCCCN2C(=O)[O-])o1 ZINC000737259761 585027951 /nfs/dbraw/zinc/02/79/51/585027951.db2.gz XFUSASSOGYIZAH-NSHDSACASA-N -1 0 237.299 3.437 20 0 BGADRM CCc1ccc([C@@H]2CCCCN2C(=O)[O-])o1 ZINC000737259862 585028013 /nfs/dbraw/zinc/02/80/13/585028013.db2.gz ZKPSBFDHFVRUIZ-JTQLQIEISA-N -1 0 223.272 3.047 20 0 BGADRM CCc1ccc([C@H]2CCCCN2C(=O)[O-])o1 ZINC000737259863 585027977 /nfs/dbraw/zinc/02/79/77/585027977.db2.gz ZKPSBFDHFVRUIZ-SNVBAGLBSA-N -1 0 223.272 3.047 20 0 BGADRM CC(C)(C)CNc1ccc(NC(=O)[O-])cc1 ZINC000737579749 585036600 /nfs/dbraw/zinc/03/66/00/585036600.db2.gz VAJGCYNNKPNTDF-UHFFFAOYSA-N -1 0 222.288 3.235 20 0 BGADRM CC(C)CCc1ccc(N[C@H](C)C(=O)[O-])cc1 ZINC000737622229 585037583 /nfs/dbraw/zinc/03/75/83/585037583.db2.gz IKJOKUOVCDBZPE-LLVKDONJSA-N -1 0 235.327 3.160 20 0 BGADRM CC(C)CCc1ccc(N[C@@H](C)C(=O)[O-])cc1 ZINC000737622236 585037629 /nfs/dbraw/zinc/03/76/29/585037629.db2.gz IKJOKUOVCDBZPE-NSHDSACASA-N -1 0 235.327 3.160 20 0 BGADRM CC/C=C(\C)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000737797438 583978388 /nfs/dbraw/zinc/97/83/88/583978388.db2.gz JTNMCGBACRKQSR-RUDMXATFSA-N -1 0 249.266 3.038 20 0 BGADRM CC/C=C(/C)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000737797439 583978078 /nfs/dbraw/zinc/97/80/78/583978078.db2.gz JTNMCGBACRKQSR-WTKPLQERSA-N -1 0 249.266 3.038 20 0 BGADRM CCC/C=C\C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000737811206 585038391 /nfs/dbraw/zinc/03/83/91/585038391.db2.gz KTZJJZNTXBXDRV-PLNGDYQASA-N -1 0 249.266 3.038 20 0 BGADRM CCC/C=C/C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000737811208 585038423 /nfs/dbraw/zinc/03/84/23/585038423.db2.gz KTZJJZNTXBXDRV-SNAWJCMRSA-N -1 0 249.266 3.038 20 0 BGADRM COc1ccc2oc([C@@H](C)NC(=O)[O-])c(C)c2c1 ZINC000738080212 585040923 /nfs/dbraw/zinc/04/09/23/585040923.db2.gz XTMLMCDGSHBRIX-MRVPVSSYSA-N -1 0 249.266 3.078 20 0 BGADRM COc1ccc2oc([C@H](C)NC(=O)[O-])c(C)c2c1 ZINC000738080214 585040556 /nfs/dbraw/zinc/04/05/56/585040556.db2.gz XTMLMCDGSHBRIX-QMMMGPOBSA-N -1 0 249.266 3.078 20 0 BGADRM Cc1cc(CS[C@H](C)CC(=O)[O-])c(C)s1 ZINC000738232432 585042117 /nfs/dbraw/zinc/04/21/17/585042117.db2.gz IEXIDECSBBNZHT-SSDOTTSWSA-N -1 0 244.381 3.461 20 0 BGADRM Cc1cc(CS[C@@H](C)CC(=O)[O-])c(C)s1 ZINC000738232433 585042223 /nfs/dbraw/zinc/04/22/23/585042223.db2.gz IEXIDECSBBNZHT-ZETCQYMHSA-N -1 0 244.381 3.461 20 0 BGADRM Cc1ccc(CCS[C@H](C)CC(=O)[O-])cc1 ZINC000738283093 585042439 /nfs/dbraw/zinc/04/24/39/585042439.db2.gz SFSLOQZXFZPZBS-LLVKDONJSA-N -1 0 238.352 3.134 20 0 BGADRM Cc1ccc(CCS[C@@H](C)CC(=O)[O-])cc1 ZINC000738283118 585042334 /nfs/dbraw/zinc/04/23/34/585042334.db2.gz SFSLOQZXFZPZBS-NSHDSACASA-N -1 0 238.352 3.134 20 0 BGADRM Cc1nc(SCCCCC(=O)[O-])sc1C ZINC000738361020 597756569 /nfs/dbraw/zinc/75/65/69/597756569.db2.gz IJLACGNGUJCFIR-UHFFFAOYSA-N -1 0 245.369 3.107 20 0 BGADRM Cc1cc(CSC[C@@H](C)C(=O)[O-])c(C)s1 ZINC000738395272 600601638 /nfs/dbraw/zinc/60/16/38/600601638.db2.gz QTVNPLHEKFQEGX-SSDOTTSWSA-N -1 0 244.381 3.319 20 0 BGADRM Cc1cc(CSC[C@H](C)C(=O)[O-])c(C)s1 ZINC000738395273 600601395 /nfs/dbraw/zinc/60/13/95/600601395.db2.gz QTVNPLHEKFQEGX-ZETCQYMHSA-N -1 0 244.381 3.319 20 0 BGADRM O=C([O-])CCCCSC1=Nc2ccccc2C1 ZINC000738573525 597755667 /nfs/dbraw/zinc/75/56/67/597755667.db2.gz IURDNMNVHCFXKD-UHFFFAOYSA-N -1 0 249.335 3.261 20 0 BGADRM Cc1ccc([C@@H]2CCCCCN2C(=O)[O-])o1 ZINC000738581050 602879476 /nfs/dbraw/zinc/87/94/76/602879476.db2.gz AFUULEDUFFXVFB-JTQLQIEISA-N -1 0 223.272 3.183 20 0 BGADRM Cc1ccc([C@H]2CCCCCN2C(=O)[O-])o1 ZINC000738581054 602879415 /nfs/dbraw/zinc/87/94/15/602879415.db2.gz AFUULEDUFFXVFB-SNVBAGLBSA-N -1 0 223.272 3.183 20 0 BGADRM Cc1ccc([C@H]2CCCCN2C(=O)[O-])cc1 ZINC000738581078 600914727 /nfs/dbraw/zinc/91/47/27/600914727.db2.gz BDVOWOWFIGJSGC-GFCCVEGCSA-N -1 0 219.284 3.200 20 0 BGADRM Cc1ccc([C@@H]2CCCCN2C(=O)[O-])cc1 ZINC000738581081 600914789 /nfs/dbraw/zinc/91/47/89/600914789.db2.gz BDVOWOWFIGJSGC-LBPRGKRZSA-N -1 0 219.284 3.200 20 0 BGADRM Cc1ccc(/C=C(/C(=O)[O-])c2ccncc2)cc1 ZINC000738582326 599831609 /nfs/dbraw/zinc/83/16/09/599831609.db2.gz HSHRMJBAKSNORE-GXDHUFHOSA-N -1 0 239.274 3.015 20 0 BGADRM Cc1ccc(/C=C(\C(=O)[O-])c2ccncc2)cc1 ZINC000738582328 599831440 /nfs/dbraw/zinc/83/14/40/599831440.db2.gz HSHRMJBAKSNORE-UVTDQMKNSA-N -1 0 239.274 3.015 20 0 BGADRM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)[O-])cc1 ZINC000738582480 600415789 /nfs/dbraw/zinc/41/57/89/600415789.db2.gz JRJNWLVVJCFQTR-AAEUAGOBSA-N -1 0 233.311 3.446 20 0 BGADRM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)[O-])cc1 ZINC000738582482 600415959 /nfs/dbraw/zinc/41/59/59/600415959.db2.gz JRJNWLVVJCFQTR-DGCLKSJQSA-N -1 0 233.311 3.446 20 0 BGADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)[O-])cc1 ZINC000738582483 600415812 /nfs/dbraw/zinc/41/58/12/600415812.db2.gz JRJNWLVVJCFQTR-WCQYABFASA-N -1 0 233.311 3.446 20 0 BGADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[O-])cc1 ZINC000738582485 600415976 /nfs/dbraw/zinc/41/59/76/600415976.db2.gz JRJNWLVVJCFQTR-YPMHNXCESA-N -1 0 233.311 3.446 20 0 BGADRM Cc1ccc(/C=C(\C(=O)[O-])c2ccncc2)s1 ZINC000738582957 599831526 /nfs/dbraw/zinc/83/15/26/599831526.db2.gz NCNUBNJIIBHQSW-WQLSENKSSA-N -1 0 245.303 3.077 20 0 BGADRM Cc1ccc(/C=C(/C(=O)[O-])c2ccncc2)s1 ZINC000738582958 599831520 /nfs/dbraw/zinc/83/15/20/599831520.db2.gz NCNUBNJIIBHQSW-XYOKQWHBSA-N -1 0 245.303 3.077 20 0 BGADRM O=C([O-])CCCSc1cccc2cccnc21 ZINC000738585748 600274367 /nfs/dbraw/zinc/27/43/67/600274367.db2.gz CAVAPMWSBBPQQM-UHFFFAOYSA-N -1 0 247.319 3.192 20 0 BGADRM O=C([O-])CSCCc1ccc2ccccc2c1 ZINC000738619767 600403616 /nfs/dbraw/zinc/40/36/16/600403616.db2.gz QSAKGGGMJJMDCN-UHFFFAOYSA-N -1 0 246.331 3.200 20 0 BGADRM O=C([O-])CSCCCc1ccc(Cl)cc1 ZINC000738620048 600687190 /nfs/dbraw/zinc/68/71/90/600687190.db2.gz WFOUPJNVPUGWFV-UHFFFAOYSA-N -1 0 244.743 3.090 20 0 BGADRM CC(C)(C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000738674985 602666239 /nfs/dbraw/zinc/66/62/39/602666239.db2.gz HWOVXYNTORKMBZ-JTQLQIEISA-N -1 0 207.273 3.041 20 0 BGADRM CC(C)(C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000738674986 602666131 /nfs/dbraw/zinc/66/61/31/602666131.db2.gz HWOVXYNTORKMBZ-SNVBAGLBSA-N -1 0 207.273 3.041 20 0 BGADRM CC(C)(C)[C@@H](NC(=O)[O-])c1ccc(F)cc1 ZINC000738677286 602666998 /nfs/dbraw/zinc/66/69/98/602666998.db2.gz XBKKADLLQYRQBV-JTQLQIEISA-N -1 0 225.263 3.181 20 0 BGADRM CC(C)(C)[C@H](NC(=O)[O-])c1ccc(F)cc1 ZINC000738677298 602667099 /nfs/dbraw/zinc/66/70/99/602667099.db2.gz XBKKADLLQYRQBV-SNVBAGLBSA-N -1 0 225.263 3.181 20 0 BGADRM Cc1cccc(-c2ccc(CNC(=O)[O-])cc2)c1 ZINC000738680522 600186611 /nfs/dbraw/zinc/18/66/11/600186611.db2.gz MCNDINRGYHIJEA-UHFFFAOYSA-N -1 0 241.290 3.430 20 0 BGADRM Cc1cccc(-c2cccc(CNC(=O)[O-])c2)c1 ZINC000738681699 599932342 /nfs/dbraw/zinc/93/23/42/599932342.db2.gz ZCADKUPIVGYZIZ-UHFFFAOYSA-N -1 0 241.290 3.430 20 0 BGADRM Cc1cccc([C@H]2CCCN2C(=O)[O-])c1C ZINC000738687016 603119913 /nfs/dbraw/zinc/11/99/13/603119913.db2.gz BGDODFCEUGSYEV-GFCCVEGCSA-N -1 0 219.284 3.118 20 0 BGADRM Cc1cccc([C@@H]2CCCN2C(=O)[O-])c1C ZINC000738687018 603119753 /nfs/dbraw/zinc/11/97/53/603119753.db2.gz BGDODFCEUGSYEV-LBPRGKRZSA-N -1 0 219.284 3.118 20 0 BGADRM Cc1cccc(C2(CNC(=O)[O-])CCCC2)c1 ZINC000738687489 599992137 /nfs/dbraw/zinc/99/21/37/599992137.db2.gz NIDIPBFGOPWLBK-UHFFFAOYSA-N -1 0 233.311 3.074 20 0 BGADRM Cc1cccc(C2(NC(=O)[O-])CCCC2)c1 ZINC000738688329 602671227 /nfs/dbraw/zinc/67/12/27/602671227.db2.gz ZVGWPFFPWXGJPT-UHFFFAOYSA-N -1 0 219.284 3.032 20 0 BGADRM Cc1cccc(/C=C(/C(=O)[O-])c2ccncc2)c1 ZINC000738698871 599831512 /nfs/dbraw/zinc/83/15/12/599831512.db2.gz ZNCKFBQPFSUASB-GXDHUFHOSA-N -1 0 239.274 3.015 20 0 BGADRM Cc1cccc(/C=C(\C(=O)[O-])c2ccncc2)c1 ZINC000738698872 599831437 /nfs/dbraw/zinc/83/14/37/599831437.db2.gz ZNCKFBQPFSUASB-UVTDQMKNSA-N -1 0 239.274 3.015 20 0 BGADRM CC(C)(NC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000738755514 602670059 /nfs/dbraw/zinc/67/00/59/602670059.db2.gz RQWNSILAEPDTHE-UHFFFAOYSA-N -1 0 248.109 3.496 20 0 BGADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)[O-] ZINC000738758917 600497011 /nfs/dbraw/zinc/49/70/11/600497011.db2.gz SUWFNKXCGUTVJQ-GFCCVEGCSA-N -1 0 221.300 3.350 20 0 BGADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)[O-] ZINC000738758921 600497048 /nfs/dbraw/zinc/49/70/48/600497048.db2.gz SUWFNKXCGUTVJQ-LBPRGKRZSA-N -1 0 221.300 3.350 20 0 BGADRM Cc1ccccc1C1(CNC(=O)[O-])CCCCC1 ZINC000738760287 599702193 /nfs/dbraw/zinc/70/21/93/599702193.db2.gz HNRRRAITGWOOBA-UHFFFAOYSA-N -1 0 247.338 3.465 20 0 BGADRM Cc1ccsc1/C=C(/C(=O)[O-])c1ccncc1 ZINC000738797761 599831530 /nfs/dbraw/zinc/83/15/30/599831530.db2.gz ABBCRNWWJTWYKD-DHZHZOJOSA-N -1 0 245.303 3.077 20 0 BGADRM Cc1ccsc1/C=C(\C(=O)[O-])c1ccncc1 ZINC000738797767 599831394 /nfs/dbraw/zinc/83/13/94/599831394.db2.gz ABBCRNWWJTWYKD-FLIBITNWSA-N -1 0 245.303 3.077 20 0 BGADRM CC(C)[C@H](NC(=O)[O-])c1ccc(Cl)cc1 ZINC000738798985 602664719 /nfs/dbraw/zinc/66/47/19/602664719.db2.gz WVERYNSCQCQJKL-JTQLQIEISA-N -1 0 227.691 3.305 20 0 BGADRM CC(C)[C@@H](NC(=O)[O-])c1ccc(Cl)cc1 ZINC000738798986 602664714 /nfs/dbraw/zinc/66/47/14/602664714.db2.gz WVERYNSCQCQJKL-SNVBAGLBSA-N -1 0 227.691 3.305 20 0 BGADRM CC(C)C[C@@H](NC(=O)[O-])c1cccs1 ZINC000738814446 602668479 /nfs/dbraw/zinc/66/84/79/602668479.db2.gz CGABPATVVBEZBC-MRVPVSSYSA-N -1 0 213.302 3.103 20 0 BGADRM CC(C)C[C@H](NC(=O)[O-])c1cccs1 ZINC000738814448 602668557 /nfs/dbraw/zinc/66/85/57/602668557.db2.gz CGABPATVVBEZBC-QMMMGPOBSA-N -1 0 213.302 3.103 20 0 BGADRM CC(C)N(C(=O)[O-])c1ccc(Cl)cc1 ZINC000738833217 602742531 /nfs/dbraw/zinc/74/25/31/602742531.db2.gz FOPXMLMZZUVATQ-UHFFFAOYSA-N -1 0 213.664 3.233 20 0 BGADRM CC(C)c1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000738875328 602664023 /nfs/dbraw/zinc/66/40/23/602664023.db2.gz FCOZQIYIXQYBIS-SECBINFHSA-N -1 0 207.273 3.139 20 0 BGADRM CC(C)c1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000738875329 602664010 /nfs/dbraw/zinc/66/40/10/602664010.db2.gz FCOZQIYIXQYBIS-VIFPVBQESA-N -1 0 207.273 3.139 20 0 BGADRM CC(C)c1ccc(SCCNC(=O)[O-])cc1 ZINC000738876096 603048766 /nfs/dbraw/zinc/04/87/66/603048766.db2.gz KPTOMRVNSPUTGN-UHFFFAOYSA-N -1 0 239.340 3.170 20 0 BGADRM CC(C)c1ccc2c(c1)CCCN2C(=O)[O-] ZINC000738876693 602666220 /nfs/dbraw/zinc/66/62/20/602666220.db2.gz ODCVMUSPTWNCIA-UHFFFAOYSA-N -1 0 219.284 3.241 20 0 BGADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[O-] ZINC000738897248 602669300 /nfs/dbraw/zinc/66/93/00/602669300.db2.gz SFAAFFWKIZMNSO-JTQLQIEISA-N -1 0 221.300 3.010 20 0 BGADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)[O-] ZINC000738897250 602669302 /nfs/dbraw/zinc/66/93/02/602669302.db2.gz SFAAFFWKIZMNSO-SNVBAGLBSA-N -1 0 221.300 3.010 20 0 BGADRM C[C@H](CCc1ccccc1)S[C@H](C)C(=O)[O-] ZINC000738903617 601344333 /nfs/dbraw/zinc/34/43/33/601344333.db2.gz BGABZGVJFJGDMN-GHMZBOCLSA-N -1 0 238.352 3.214 20 0 BGADRM C[C@H](CCc1ccccc1)S[C@@H](C)C(=O)[O-] ZINC000738903618 601344251 /nfs/dbraw/zinc/34/42/51/601344251.db2.gz BGABZGVJFJGDMN-MNOVXSKESA-N -1 0 238.352 3.214 20 0 BGADRM C[C@@H](CCc1ccccc1)S[C@@H](C)C(=O)[O-] ZINC000738903619 601344521 /nfs/dbraw/zinc/34/45/21/601344521.db2.gz BGABZGVJFJGDMN-QWRGUYRKSA-N -1 0 238.352 3.214 20 0 BGADRM C[C@@H](S[C@@H](C)CCc1ccccc1)C(=O)[O-] ZINC000738903620 601344532 /nfs/dbraw/zinc/34/45/32/601344532.db2.gz BGABZGVJFJGDMN-WDEREUQCSA-N -1 0 238.352 3.214 20 0 BGADRM C[C@@H](NC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000739016467 602667120 /nfs/dbraw/zinc/66/71/20/602667120.db2.gz IDFDSAGNDPWAFP-SECBINFHSA-N -1 0 221.300 3.313 20 0 BGADRM C[C@H](NC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000739016468 602666949 /nfs/dbraw/zinc/66/69/49/602666949.db2.gz IDFDSAGNDPWAFP-VIFPVBQESA-N -1 0 221.300 3.313 20 0 BGADRM C[C@@H](NC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000739017047 602663074 /nfs/dbraw/zinc/66/30/74/602663074.db2.gz MSZYVNCNMCSZGR-RXMQYKEDSA-N -1 0 234.082 3.322 20 0 BGADRM C[C@H](NC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000739017048 602663073 /nfs/dbraw/zinc/66/30/73/602663073.db2.gz MSZYVNCNMCSZGR-YFKPBYRVSA-N -1 0 234.082 3.322 20 0 BGADRM C[C@@H](NC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000739017471 602669310 /nfs/dbraw/zinc/66/93/10/602669310.db2.gz QHSPNXDSIRQIPM-RXMQYKEDSA-N -1 0 234.082 3.322 20 0 BGADRM C[C@H](NC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000739017472 602669298 /nfs/dbraw/zinc/66/92/98/602669298.db2.gz QHSPNXDSIRQIPM-YFKPBYRVSA-N -1 0 234.082 3.322 20 0 BGADRM C[C@@H](NC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000739018412 602664085 /nfs/dbraw/zinc/66/40/85/602664085.db2.gz ZPBJYQLNRCUXCC-RXMQYKEDSA-N -1 0 234.082 3.322 20 0 BGADRM C[C@H](NC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000739018414 602663983 /nfs/dbraw/zinc/66/39/83/602663983.db2.gz ZPBJYQLNRCUXCC-YFKPBYRVSA-N -1 0 234.082 3.322 20 0 BGADRM C[C@H](NC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000739019242 602663765 /nfs/dbraw/zinc/66/37/65/602663765.db2.gz XPNJRFGOAONORQ-LURJTMIESA-N -1 0 233.189 3.034 20 0 BGADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)[O-] ZINC000739052484 602665558 /nfs/dbraw/zinc/66/55/58/602665558.db2.gz GWEOBCPGBBUAKE-MRVPVSSYSA-N -1 0 219.240 3.104 20 0 BGADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[O-] ZINC000739052486 602665589 /nfs/dbraw/zinc/66/55/89/602665589.db2.gz GWEOBCPGBBUAKE-QMMMGPOBSA-N -1 0 219.240 3.104 20 0 BGADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[O-] ZINC000739052706 602665425 /nfs/dbraw/zinc/66/54/25/602665425.db2.gz IASRINWUCFUOCJ-SSDOTTSWSA-N -1 0 213.664 3.011 20 0 BGADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[O-] ZINC000739052707 602665582 /nfs/dbraw/zinc/66/55/82/602665582.db2.gz IASRINWUCFUOCJ-ZETCQYMHSA-N -1 0 213.664 3.011 20 0 BGADRM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)[O-] ZINC000739054131 602669320 /nfs/dbraw/zinc/66/93/20/602669320.db2.gz PFRWMZVCIHERLT-SSDOTTSWSA-N -1 0 247.216 3.376 20 0 BGADRM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)[O-] ZINC000739054134 602669272 /nfs/dbraw/zinc/66/92/72/602669272.db2.gz PFRWMZVCIHERLT-ZETCQYMHSA-N -1 0 247.216 3.376 20 0 BGADRM C[C@H](S[C@@H](C)c1ccc(F)cc1F)C(=O)[O-] ZINC000739054860 601345708 /nfs/dbraw/zinc/34/57/08/601345708.db2.gz KOVYTMXAZNZEEJ-BQBZGAKWSA-N -1 0 246.278 3.232 20 0 BGADRM C[C@@H](S[C@@H](C)c1ccc(F)cc1F)C(=O)[O-] ZINC000739054864 601345525 /nfs/dbraw/zinc/34/55/25/601345525.db2.gz KOVYTMXAZNZEEJ-NKWVEPMBSA-N -1 0 246.278 3.232 20 0 BGADRM C[C@@H](S[C@H](C)c1ccc(F)cc1F)C(=O)[O-] ZINC000739054874 601345513 /nfs/dbraw/zinc/34/55/13/601345513.db2.gz KOVYTMXAZNZEEJ-RNFRBKRXSA-N -1 0 246.278 3.232 20 0 BGADRM C[C@@H](S[C@@H](C)C(=O)[O-])c1ccc(F)cc1F ZINC000739054879 601346044 /nfs/dbraw/zinc/34/60/44/601346044.db2.gz KOVYTMXAZNZEEJ-RQJHMYQMSA-N -1 0 246.278 3.232 20 0 BGADRM C[C@H](S[C@@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000739055375 601345152 /nfs/dbraw/zinc/34/51/52/601345152.db2.gz MNMVDQWTYRJNJT-BQBZGAKWSA-N -1 0 246.278 3.232 20 0 BGADRM C[C@@H](S[C@@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000739055378 601345120 /nfs/dbraw/zinc/34/51/20/601345120.db2.gz MNMVDQWTYRJNJT-NKWVEPMBSA-N -1 0 246.278 3.232 20 0 BGADRM C[C@@H](S[C@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000739055379 601345130 /nfs/dbraw/zinc/34/51/30/601345130.db2.gz MNMVDQWTYRJNJT-RNFRBKRXSA-N -1 0 246.278 3.232 20 0 BGADRM C[C@@H](S[C@@H](C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000739055380 601345061 /nfs/dbraw/zinc/34/50/61/601345061.db2.gz MNMVDQWTYRJNJT-RQJHMYQMSA-N -1 0 246.278 3.232 20 0 BGADRM C[C@@H](S[C@H](C)c1cccc(F)c1)C(=O)[O-] ZINC000739056051 601344264 /nfs/dbraw/zinc/34/42/64/601344264.db2.gz QINHAYLOQXPLTI-HTQZYQBOSA-N -1 0 228.288 3.093 20 0 BGADRM C[C@@H](S[C@@H](C)c1cccc(F)c1)C(=O)[O-] ZINC000739056052 601344534 /nfs/dbraw/zinc/34/45/34/601344534.db2.gz QINHAYLOQXPLTI-JGVFFNPUSA-N -1 0 228.288 3.093 20 0 BGADRM C[C@@H](S[C@@H](C)C(=O)[O-])c1cccc(F)c1 ZINC000739056053 601344391 /nfs/dbraw/zinc/34/43/91/601344391.db2.gz QINHAYLOQXPLTI-SFYZADRCSA-N -1 0 228.288 3.093 20 0 BGADRM C[C@H](S[C@@H](C)c1cccc(F)c1)C(=O)[O-] ZINC000739056054 601344282 /nfs/dbraw/zinc/34/42/82/601344282.db2.gz QINHAYLOQXPLTI-YUMQZZPRSA-N -1 0 228.288 3.093 20 0 BGADRM C[C@H](S[C@@H](C)c1cc(F)ccc1F)C(=O)[O-] ZINC000739057524 604386059 /nfs/dbraw/zinc/38/60/59/604386059.db2.gz VPMTUPIMKXPTRV-BQBZGAKWSA-N -1 0 246.278 3.232 20 0 BGADRM C[C@@H](S[C@@H](C)c1cc(F)ccc1F)C(=O)[O-] ZINC000739057528 604386238 /nfs/dbraw/zinc/38/62/38/604386238.db2.gz VPMTUPIMKXPTRV-NKWVEPMBSA-N -1 0 246.278 3.232 20 0 BGADRM C[C@@H](S[C@H](C)c1cc(F)ccc1F)C(=O)[O-] ZINC000739057531 604386247 /nfs/dbraw/zinc/38/62/47/604386247.db2.gz VPMTUPIMKXPTRV-RNFRBKRXSA-N -1 0 246.278 3.232 20 0 BGADRM C[C@@H](S[C@@H](C)C(=O)[O-])c1cc(F)ccc1F ZINC000739057533 604385991 /nfs/dbraw/zinc/38/59/91/604385991.db2.gz VPMTUPIMKXPTRV-RQJHMYQMSA-N -1 0 246.278 3.232 20 0 BGADRM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)[O-] ZINC000739057681 602669306 /nfs/dbraw/zinc/66/93/06/602669306.db2.gz MMNXWDYDDDPZMW-SSDOTTSWSA-N -1 0 247.216 3.376 20 0 BGADRM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)[O-] ZINC000739057682 602669322 /nfs/dbraw/zinc/66/93/22/602669322.db2.gz MMNXWDYDDDPZMW-ZETCQYMHSA-N -1 0 247.216 3.376 20 0 BGADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)[O-] ZINC000739058355 602667854 /nfs/dbraw/zinc/66/78/54/602667854.db2.gz OGVLXBCNGSPCDW-SSDOTTSWSA-N -1 0 213.664 3.011 20 0 BGADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)[O-] ZINC000739058356 602667852 /nfs/dbraw/zinc/66/78/52/602667852.db2.gz OGVLXBCNGSPCDW-ZETCQYMHSA-N -1 0 213.664 3.011 20 0 BGADRM C[C@H](c1ccccc1Cl)N(C)C(=O)[O-] ZINC000739061082 602667879 /nfs/dbraw/zinc/66/78/79/602667879.db2.gz XUEDBNKQMDRCOX-SSDOTTSWSA-N -1 0 213.664 3.011 20 0 BGADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)[O-] ZINC000739061083 602667631 /nfs/dbraw/zinc/66/76/31/602667631.db2.gz XUEDBNKQMDRCOX-ZETCQYMHSA-N -1 0 213.664 3.011 20 0 BGADRM CC1(C)CC[C@@H](NC(=O)[O-])c2ccccc21 ZINC000739065619 602670123 /nfs/dbraw/zinc/67/01/23/602670123.db2.gz OXBDITPPRJZZIG-LLVKDONJSA-N -1 0 219.284 3.067 20 0 BGADRM CC1(C)CC[C@H](NC(=O)[O-])c2ccccc21 ZINC000739065620 602670130 /nfs/dbraw/zinc/67/01/30/602670130.db2.gz OXBDITPPRJZZIG-NSHDSACASA-N -1 0 219.284 3.067 20 0 BGADRM C[C@H]1C[C@H]1c1ccc(CN(C(=O)[O-])C2CC2)o1 ZINC000739086844 602666248 /nfs/dbraw/zinc/66/62/48/602666248.db2.gz UAPOEPJUKAHEBH-GZMMTYOYSA-N -1 0 235.283 3.045 20 0 BGADRM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)[O-])C2CC2)o1 ZINC000739086851 602666145 /nfs/dbraw/zinc/66/61/45/602666145.db2.gz UAPOEPJUKAHEBH-KCJUWKMLSA-N -1 0 235.283 3.045 20 0 BGADRM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)[O-])C2CC2)o1 ZINC000739086856 602666190 /nfs/dbraw/zinc/66/61/90/602666190.db2.gz UAPOEPJUKAHEBH-KWQFWETISA-N -1 0 235.283 3.045 20 0 BGADRM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)[O-])C2CC2)o1 ZINC000739086861 602666176 /nfs/dbraw/zinc/66/61/76/602666176.db2.gz UAPOEPJUKAHEBH-LDYMZIIASA-N -1 0 235.283 3.045 20 0 BGADRM CCC(CC)SCC1CCN(C(=O)[O-])CC1 ZINC000739254267 602231689 /nfs/dbraw/zinc/23/16/89/602231689.db2.gz OYOSYOLIOCEKIJ-UHFFFAOYSA-N -1 0 245.388 3.298 20 0 BGADRM CCC(CC)[C@H](NC(=O)[O-])c1cccs1 ZINC000739254577 602667883 /nfs/dbraw/zinc/66/78/83/602667883.db2.gz ZPHPRJUQLDEBMC-JTQLQIEISA-N -1 0 227.329 3.493 20 0 BGADRM CCC(CC)[C@@H](NC(=O)[O-])c1cccs1 ZINC000739254578 602667884 /nfs/dbraw/zinc/66/78/84/602667884.db2.gz ZPHPRJUQLDEBMC-SNVBAGLBSA-N -1 0 227.329 3.493 20 0 BGADRM CC[C@@H](NC(=O)[O-])c1cccc(Cl)c1 ZINC000739264533 602666162 /nfs/dbraw/zinc/66/61/62/602666162.db2.gz IFZOPHRXYPDUDA-SECBINFHSA-N -1 0 213.664 3.059 20 0 BGADRM CC[C@H](NC(=O)[O-])c1cccc(Cl)c1 ZINC000739264534 602666241 /nfs/dbraw/zinc/66/62/41/602666241.db2.gz IFZOPHRXYPDUDA-VIFPVBQESA-N -1 0 213.664 3.059 20 0 BGADRM CC[C@@H](NC(=O)[O-])c1ccc(Cl)cc1 ZINC000739266232 602664866 /nfs/dbraw/zinc/66/48/66/602664866.db2.gz LUFYNLLQXIOEPA-SECBINFHSA-N -1 0 213.664 3.059 20 0 BGADRM CC[C@H](NC(=O)[O-])c1ccc(Cl)cc1 ZINC000739266233 602664764 /nfs/dbraw/zinc/66/47/64/602664764.db2.gz LUFYNLLQXIOEPA-VIFPVBQESA-N -1 0 213.664 3.059 20 0 BGADRM CC[C@H](c1ccccc1)N(CC)C(=O)[O-] ZINC000739267783 602670086 /nfs/dbraw/zinc/67/00/86/602670086.db2.gz ZZZFYSFESICHFP-LLVKDONJSA-N -1 0 207.273 3.138 20 0 BGADRM CC[C@@H](c1ccccc1)N(CC)C(=O)[O-] ZINC000739267784 602669932 /nfs/dbraw/zinc/66/99/32/602669932.db2.gz ZZZFYSFESICHFP-NSHDSACASA-N -1 0 207.273 3.138 20 0 BGADRM CC[C@@H](NC(=O)[O-])c1ccccc1OC(F)F ZINC000739269120 602666171 /nfs/dbraw/zinc/66/61/71/602666171.db2.gz TUCHBWLGKAZEBN-MRVPVSSYSA-N -1 0 245.225 3.007 20 0 BGADRM CC[C@H](NC(=O)[O-])c1ccccc1OC(F)F ZINC000739269125 602666233 /nfs/dbraw/zinc/66/62/33/602666233.db2.gz TUCHBWLGKAZEBN-QMMMGPOBSA-N -1 0 245.225 3.007 20 0 BGADRM CC[C@@H](S[C@@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000739275740 601345112 /nfs/dbraw/zinc/34/51/12/601345112.db2.gz BGAPXXDBNSFSNN-GZMMTYOYSA-N -1 0 242.315 3.483 20 0 BGADRM CC[C@H](S[C@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000739275741 601344889 /nfs/dbraw/zinc/34/48/89/601344889.db2.gz BGAPXXDBNSFSNN-KCJUWKMLSA-N -1 0 242.315 3.483 20 0 BGADRM CC[C@H](S[C@@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000739275742 601345107 /nfs/dbraw/zinc/34/51/07/601345107.db2.gz BGAPXXDBNSFSNN-KWQFWETISA-N -1 0 242.315 3.483 20 0 BGADRM CC[C@@H](S[C@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000739275744 601345068 /nfs/dbraw/zinc/34/50/68/601345068.db2.gz BGAPXXDBNSFSNN-LDYMZIIASA-N -1 0 242.315 3.483 20 0 BGADRM CC[C@@H](S[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000739278450 601344420 /nfs/dbraw/zinc/34/44/20/601344420.db2.gz NTIZTKPWCDVTLB-GXSJLCMTSA-N -1 0 224.325 3.344 20 0 BGADRM CC[C@H](S[C@H](C)C(=O)[O-])c1ccccc1 ZINC000739278451 601344536 /nfs/dbraw/zinc/34/45/36/601344536.db2.gz NTIZTKPWCDVTLB-KOLCDFICSA-N -1 0 224.325 3.344 20 0 BGADRM CC[C@@H](S[C@H](C)C(=O)[O-])c1ccccc1 ZINC000739278452 601344314 /nfs/dbraw/zinc/34/43/14/601344314.db2.gz NTIZTKPWCDVTLB-MWLCHTKSSA-N -1 0 224.325 3.344 20 0 BGADRM CC[C@H](S[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000739278453 601344430 /nfs/dbraw/zinc/34/44/30/601344430.db2.gz NTIZTKPWCDVTLB-ONGXEEELSA-N -1 0 224.325 3.344 20 0 BGADRM CC/C=C(\C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739279828 602503417 /nfs/dbraw/zinc/50/34/17/602503417.db2.gz IHDSAUSTBCDHNJ-RUDMXATFSA-N -1 0 248.282 3.071 20 0 BGADRM CC/C=C(/C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739279837 602503426 /nfs/dbraw/zinc/50/34/26/602503426.db2.gz IHDSAUSTBCDHNJ-WTKPLQERSA-N -1 0 248.282 3.071 20 0 BGADRM CC/C=C(\C)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000739284150 602474223 /nfs/dbraw/zinc/47/42/23/602474223.db2.gz YTXWNOAISMHPBP-RMKNXTFCSA-N -1 0 248.282 3.071 20 0 BGADRM CC/C=C(/C)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000739284152 602474150 /nfs/dbraw/zinc/47/41/50/602474150.db2.gz YTXWNOAISMHPBP-TWGQIWQCSA-N -1 0 248.282 3.071 20 0 BGADRM CCC/C=C\C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739328477 602501518 /nfs/dbraw/zinc/50/15/18/602501518.db2.gz FZTWFNXAZKWHNH-PLNGDYQASA-N -1 0 248.282 3.071 20 0 BGADRM CCC/C=C/C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739328479 602501403 /nfs/dbraw/zinc/50/14/03/602501403.db2.gz FZTWFNXAZKWHNH-SNAWJCMRSA-N -1 0 248.282 3.071 20 0 BGADRM CCC/C=C/C(=O)Nc1ccccc1NC(=O)[O-] ZINC000739332350 602474192 /nfs/dbraw/zinc/47/41/92/602474192.db2.gz RJJUISOTMJQRPX-RUDMXATFSA-N -1 0 248.282 3.071 20 0 BGADRM CCC/C=C\C(=O)Nc1ccccc1NC(=O)[O-] ZINC000739332351 602474195 /nfs/dbraw/zinc/47/41/95/602474195.db2.gz RJJUISOTMJQRPX-WTKPLQERSA-N -1 0 248.282 3.071 20 0 BGADRM CCCN(C(=O)[O-])[C@@H](C)c1ccccc1OC ZINC000739342482 602669361 /nfs/dbraw/zinc/66/93/61/602669361.db2.gz JPMMWMUPYNFOBR-JTQLQIEISA-N -1 0 237.299 3.146 20 0 BGADRM CCCN(C(=O)[O-])[C@H](C)c1ccccc1OC ZINC000739342484 602670036 /nfs/dbraw/zinc/67/00/36/602670036.db2.gz JPMMWMUPYNFOBR-SNVBAGLBSA-N -1 0 237.299 3.146 20 0 BGADRM CCCN(C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000739344631 602670215 /nfs/dbraw/zinc/67/02/15/602670215.db2.gz UQFVPJOXSYVCMW-GFCCVEGCSA-N -1 0 219.284 3.064 20 0 BGADRM CCCN(C(=O)[O-])[C@H]1CCc2ccccc21 ZINC000739344646 602669974 /nfs/dbraw/zinc/66/99/74/602669974.db2.gz UQFVPJOXSYVCMW-LBPRGKRZSA-N -1 0 219.284 3.064 20 0 BGADRM CCN(C(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000739379783 602668593 /nfs/dbraw/zinc/66/85/93/602668593.db2.gz CIDJCVKNLZIESC-SECBINFHSA-N -1 0 233.267 3.494 20 0 BGADRM CCN(C(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000739379785 602668546 /nfs/dbraw/zinc/66/85/46/602668546.db2.gz CIDJCVKNLZIESC-VIFPVBQESA-N -1 0 233.267 3.494 20 0 BGADRM CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000739438607 602670097 /nfs/dbraw/zinc/67/00/97/602670097.db2.gz AVXJKOGWLCINQW-UHFFFAOYSA-N -1 0 247.216 3.205 20 0 BGADRM CCOc1cccc2cc([C@@H](C)NC(=O)[O-])oc21 ZINC000739506853 602663968 /nfs/dbraw/zinc/66/39/68/602663968.db2.gz CDGVMSBCWUHZOV-MRVPVSSYSA-N -1 0 249.266 3.160 20 0 BGADRM CCOc1cccc2cc([C@H](C)NC(=O)[O-])oc21 ZINC000739506854 602663924 /nfs/dbraw/zinc/66/39/24/602663924.db2.gz CDGVMSBCWUHZOV-QMMMGPOBSA-N -1 0 249.266 3.160 20 0 BGADRM CCc1oc2ccccc2c1CN(C)C(=O)[O-] ZINC000739559570 602664626 /nfs/dbraw/zinc/66/46/26/602664626.db2.gz ISKVGGHMVJOEBI-UHFFFAOYSA-N -1 0 233.267 3.105 20 0 BGADRM CN(Cc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000739704471 602669726 /nfs/dbraw/zinc/66/97/26/602669726.db2.gz KLYUMCLLLOTQAJ-UHFFFAOYSA-N -1 0 234.082 3.103 20 0 BGADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000739705099 602667767 /nfs/dbraw/zinc/66/77/67/602667767.db2.gz OPQIFVMZGVMXIC-UHFFFAOYSA-N -1 0 234.082 3.103 20 0 BGADRM O=C([O-])N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000739918721 602670962 /nfs/dbraw/zinc/67/09/62/602670962.db2.gz BOPJQBPZMAWCQQ-CYBMUJFWSA-N -1 0 231.295 3.206 20 0 BGADRM O=C([O-])N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000739918731 602670961 /nfs/dbraw/zinc/67/09/61/602670961.db2.gz BOPJQBPZMAWCQQ-ZDUSSCGKSA-N -1 0 231.295 3.206 20 0 BGADRM O=C([O-])N(Cc1cccc(F)c1)C1CCCC1 ZINC000739920977 600071789 /nfs/dbraw/zinc/07/17/89/600071789.db2.gz OVVBTLGCANRRHB-UHFFFAOYSA-N -1 0 237.274 3.248 20 0 BGADRM O=C([O-])N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000739927671 599771448 /nfs/dbraw/zinc/77/14/48/599771448.db2.gz BKUKJHGOKGKLPS-UHFFFAOYSA-N -1 0 246.093 3.030 20 0 BGADRM O=C([O-])N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000739927674 602671315 /nfs/dbraw/zinc/67/13/15/602671315.db2.gz BNQYOTBKBLCZOX-LLVKDONJSA-N -1 0 239.702 3.449 20 0 BGADRM O=C([O-])N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000739927675 602671257 /nfs/dbraw/zinc/67/12/57/602671257.db2.gz BNQYOTBKBLCZOX-NSHDSACASA-N -1 0 239.702 3.449 20 0 BGADRM O=C([O-])N1Cc2ccccc2-c2ccccc2C1 ZINC000739927678 599771463 /nfs/dbraw/zinc/77/14/63/599771463.db2.gz CAMHSSGNYLBJPG-UHFFFAOYSA-N -1 0 239.274 3.347 20 0 BGADRM O=C([O-])N[C@H](Cc1ccccc1)c1cccs1 ZINC000739928413 602966790 /nfs/dbraw/zinc/96/67/90/602966790.db2.gz MHLZLBLVGZEGSH-LLVKDONJSA-N -1 0 247.319 3.300 20 0 BGADRM O=C([O-])N[C@@H](Cc1ccccc1)c1cccs1 ZINC000739928415 602967067 /nfs/dbraw/zinc/96/70/67/602967067.db2.gz MHLZLBLVGZEGSH-NSHDSACASA-N -1 0 247.319 3.300 20 0 BGADRM O=C([O-])N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000739928433 602671539 /nfs/dbraw/zinc/67/15/39/602671539.db2.gz XJZYRUJCEOOERB-CYBMUJFWSA-N -1 0 244.294 3.373 20 0 BGADRM O=C([O-])N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000739928436 602671563 /nfs/dbraw/zinc/67/15/63/602671563.db2.gz XJZYRUJCEOOERB-ZDUSSCGKSA-N -1 0 244.294 3.373 20 0 BGADRM O=C([O-])N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000739928448 599869826 /nfs/dbraw/zinc/86/98/26/599869826.db2.gz NEDQAYXSCSSCOT-CHWSQXEVSA-N -1 0 233.311 3.056 20 0 BGADRM O=C([O-])N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000739928451 599869974 /nfs/dbraw/zinc/86/99/74/599869974.db2.gz NEDQAYXSCSSCOT-OLZOCXBDSA-N -1 0 233.311 3.056 20 0 BGADRM O=C([O-])N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000739928454 599869846 /nfs/dbraw/zinc/86/98/46/599869846.db2.gz NEDQAYXSCSSCOT-QWHCGFSZSA-N -1 0 233.311 3.056 20 0 BGADRM O=C([O-])N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000739928457 599870029 /nfs/dbraw/zinc/87/00/29/599870029.db2.gz NEDQAYXSCSSCOT-STQMWFEESA-N -1 0 233.311 3.056 20 0 BGADRM O=C([O-])NC(C1CCCC1)C1CCCC1 ZINC000739928486 600395664 /nfs/dbraw/zinc/39/56/64/600395664.db2.gz NNXBJLIEXNIEGC-UHFFFAOYSA-N -1 0 211.305 3.003 20 0 BGADRM O=C([O-])NC1(c2ccc(Cl)cc2)CCCC1 ZINC000739928530 599851931 /nfs/dbraw/zinc/85/19/31/599851931.db2.gz ONJAESVNMOLUJU-UHFFFAOYSA-N -1 0 239.702 3.377 20 0 BGADRM O=C([O-])N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000739929025 602874818 /nfs/dbraw/zinc/87/48/18/602874818.db2.gz WDCWLRNKFYJUAM-MRVPVSSYSA-N -1 0 246.093 3.248 20 0 BGADRM O=C([O-])N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000739929026 602874861 /nfs/dbraw/zinc/87/48/61/602874861.db2.gz WDCWLRNKFYJUAM-QMMMGPOBSA-N -1 0 246.093 3.248 20 0 BGADRM O=C([O-])NCC1CCC(c2ccccc2)CC1 ZINC000739935911 599853265 /nfs/dbraw/zinc/85/32/65/599853265.db2.gz FBMHSRNRBXDGOZ-UHFFFAOYSA-N -1 0 233.311 3.228 20 0 BGADRM O=C([O-])NCC1(c2ccc(Cl)cc2)CCC1 ZINC000739936353 602670963 /nfs/dbraw/zinc/67/09/63/602670963.db2.gz LQISOVZEGJWONV-UHFFFAOYSA-N -1 0 239.702 3.029 20 0 BGADRM O=C([O-])NCC1(c2cccs2)CCCCC1 ZINC000739936537 603085921 /nfs/dbraw/zinc/08/59/21/603085921.db2.gz PALHXCSGNJADPO-UHFFFAOYSA-N -1 0 239.340 3.218 20 0 BGADRM O=C([O-])Nc1cccc(NCCC(F)(F)F)c1 ZINC000740040019 600711124 /nfs/dbraw/zinc/71/11/24/600711124.db2.gz CTJDSIQMLBXKIB-UHFFFAOYSA-N -1 0 248.204 3.141 20 0 BGADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)[O-] ZINC000740049913 602669020 /nfs/dbraw/zinc/66/90/20/602669020.db2.gz TZDXXHJRPCPSTN-MRVPVSSYSA-N -1 0 219.240 3.070 20 0 BGADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[O-] ZINC000740049914 602668924 /nfs/dbraw/zinc/66/89/24/602668924.db2.gz TZDXXHJRPCPSTN-QMMMGPOBSA-N -1 0 219.240 3.070 20 0 BGADRM Cc1c(Cl)ccc2c1N(C(=O)[O-])CCC2 ZINC000740054108 603263899 /nfs/dbraw/zinc/26/38/99/603263899.db2.gz VRFWXSVPOSEYQE-UHFFFAOYSA-N -1 0 225.675 3.079 20 0 BGADRM Cc1cc(Cl)cc2c1N(C(=O)[O-])CCC2 ZINC000740074302 603261918 /nfs/dbraw/zinc/26/19/18/603261918.db2.gz AYJNTRUMPAUXIR-UHFFFAOYSA-N -1 0 225.675 3.079 20 0 BGADRM O=C([O-])N1CC2(CCCC2)c2c1cccc2F ZINC000740488684 602670472 /nfs/dbraw/zinc/67/04/72/602670472.db2.gz ICWWKZYHAQIYPS-UHFFFAOYSA-N -1 0 235.258 3.136 20 0 BGADRM O=C([O-])N1CC[C@H](CSC2CCCCC2)C1 ZINC000740497037 603372029 /nfs/dbraw/zinc/37/20/29/603372029.db2.gz SELMEGKXQKZYKS-JTQLQIEISA-N -1 0 243.372 3.052 20 0 BGADRM O=C([O-])N1CC[C@@H](CSC2CCCCC2)C1 ZINC000740497039 603371781 /nfs/dbraw/zinc/37/17/81/603371781.db2.gz SELMEGKXQKZYKS-SNVBAGLBSA-N -1 0 243.372 3.052 20 0 BGADRM O=C([O-])N1CCC(CSC2CCCC2)CC1 ZINC000740497088 602232129 /nfs/dbraw/zinc/23/21/29/602232129.db2.gz TXTPETJLEDBNRT-UHFFFAOYSA-N -1 0 243.372 3.052 20 0 BGADRM O=C([O-])N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000740509463 602669618 /nfs/dbraw/zinc/66/96/18/602669618.db2.gz WTZHHUMENGZLOM-UHFFFAOYSA-N -1 0 244.294 3.025 20 0 BGADRM O=C([O-])N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000740518066 602663357 /nfs/dbraw/zinc/66/33/57/602663357.db2.gz HVJNWBJRCLBGIW-SECBINFHSA-N -1 0 248.307 3.111 20 0 BGADRM O=C([O-])N1CCC[C@H]1c1nc2ccccc2s1 ZINC000740518067 602663351 /nfs/dbraw/zinc/66/33/51/602663351.db2.gz HVJNWBJRCLBGIW-VIFPVBQESA-N -1 0 248.307 3.111 20 0 BGADRM O=C([O-])N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000740532587 602664440 /nfs/dbraw/zinc/66/44/40/602664440.db2.gz AUJIPPHSQGDDKD-AWEZNQCLSA-N -1 0 241.290 3.238 20 0 BGADRM O=C([O-])N[C@H](Cc1ccccc1)c1ccccc1 ZINC000740532588 602664234 /nfs/dbraw/zinc/66/42/34/602664234.db2.gz AUJIPPHSQGDDKD-CQSZACIVSA-N -1 0 241.290 3.238 20 0 BGADRM O=C([O-])N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000740536350 602667395 /nfs/dbraw/zinc/66/73/95/602667395.db2.gz PZFSLQCNQMOEKM-GFCCVEGCSA-N -1 0 237.274 3.325 20 0 BGADRM O=C([O-])N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000740536351 602667402 /nfs/dbraw/zinc/66/74/02/602667402.db2.gz PZFSLQCNQMOEKM-LBPRGKRZSA-N -1 0 237.274 3.325 20 0 BGADRM O=C([O-])N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000740537399 602667475 /nfs/dbraw/zinc/66/74/75/602667475.db2.gz VIHZSSNXEWNARL-CYBMUJFWSA-N -1 0 245.253 3.183 20 0 BGADRM O=C([O-])N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000740537401 602667299 /nfs/dbraw/zinc/66/72/99/602667299.db2.gz VIHZSSNXEWNARL-ZDUSSCGKSA-N -1 0 245.253 3.183 20 0 BGADRM O=C([O-])N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000740538038 602664346 /nfs/dbraw/zinc/66/43/46/602664346.db2.gz YJAGCFFXZUTKMP-JTQLQIEISA-N -1 0 225.675 3.059 20 0 BGADRM O=C([O-])N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000740538039 602664279 /nfs/dbraw/zinc/66/42/79/602664279.db2.gz YJAGCFFXZUTKMP-SNVBAGLBSA-N -1 0 225.675 3.059 20 0 BGADRM O=C([O-])N[C@H](c1ccccc1)C1CCCC1 ZINC000740538058 602667524 /nfs/dbraw/zinc/66/75/24/602667524.db2.gz ZCHZBRKJJASNET-GFCCVEGCSA-N -1 0 219.284 3.186 20 0 BGADRM O=C([O-])N[C@@H](c1ccccc1)C1CCCC1 ZINC000740538059 602667462 /nfs/dbraw/zinc/66/74/62/602667462.db2.gz ZCHZBRKJJASNET-LBPRGKRZSA-N -1 0 219.284 3.186 20 0 BGADRM O=C([O-])NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000740548117 602669645 /nfs/dbraw/zinc/66/96/45/602669645.db2.gz MJGNQWLJURJWRA-UHFFFAOYSA-N -1 0 246.093 3.250 20 0 BGADRM O=C([O-])N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000740601961 602665195 /nfs/dbraw/zinc/66/51/95/602665195.db2.gz QTNQOLLRJQTMOC-MRVPVSSYSA-N -1 0 243.715 3.145 20 0 BGADRM O=C([O-])N[C@H]1CCSc2ccc(Cl)cc21 ZINC000740601963 602665178 /nfs/dbraw/zinc/66/51/78/602665178.db2.gz QTNQOLLRJQTMOC-QMMMGPOBSA-N -1 0 243.715 3.145 20 0 BGADRM O=C([O-])NCCSc1ccc2ccccc2c1 ZINC000740667463 603047542 /nfs/dbraw/zinc/04/75/42/603047542.db2.gz JGXCWGZSMLORKJ-UHFFFAOYSA-N -1 0 247.319 3.200 20 0 BGADRM O=C([O-])NCc1ccc(OC2CCCCC2)cc1 ZINC000740672918 602670552 /nfs/dbraw/zinc/67/05/52/602670552.db2.gz BNLSDEPWHSWBCT-UHFFFAOYSA-N -1 0 249.310 3.166 20 0 BGADRM O=C([O-])NCc1ccccc1Oc1ccccc1 ZINC000740681605 602669770 /nfs/dbraw/zinc/66/97/70/602669770.db2.gz PTOYUIWXXVSJCI-UHFFFAOYSA-N -1 0 243.262 3.247 20 0 BGADRM O=C([O-])Nc1ccc(NCc2ccccc2)cc1 ZINC000740713264 602549294 /nfs/dbraw/zinc/54/92/94/602549294.db2.gz TVEFAZRLHUKPBU-UHFFFAOYSA-N -1 0 242.278 3.389 20 0 BGADRM CCCCCOC(=O)c1c(F)cc([O-])cc1F ZINC000746985424 585173972 /nfs/dbraw/zinc/17/39/72/585173972.db2.gz JLAAYYPGOKBLTL-UHFFFAOYSA-N -1 0 244.237 3.017 20 0 BGADRM CCC[C@@H](C)OC(=O)c1c(O)cc(F)cc1F ZINC000748118327 585187416 /nfs/dbraw/zinc/18/74/16/585187416.db2.gz IAJDNYICSFCSQA-SSDOTTSWSA-N -1 0 244.237 3.016 20 0 BGADRM CCC[C@H](C)OC(=O)c1c(O)cc(F)cc1F ZINC000748118328 585187556 /nfs/dbraw/zinc/18/75/56/585187556.db2.gz IAJDNYICSFCSQA-ZETCQYMHSA-N -1 0 244.237 3.016 20 0 BGADRM CCC[C@@H](C)OC(=O)c1c(F)cc([O-])cc1F ZINC000748127287 585187350 /nfs/dbraw/zinc/18/73/50/585187350.db2.gz QPQMMDXABHVBER-SSDOTTSWSA-N -1 0 244.237 3.016 20 0 BGADRM CCC[C@H](C)OC(=O)c1c(F)cc([O-])cc1F ZINC000748127288 585187243 /nfs/dbraw/zinc/18/72/43/585187243.db2.gz QPQMMDXABHVBER-ZETCQYMHSA-N -1 0 244.237 3.016 20 0 BGADRM CCC(CC)OC(=O)c1c(O)cc(F)cc1F ZINC000754798972 585290904 /nfs/dbraw/zinc/29/09/04/585290904.db2.gz HCGXSEDYJJRMJS-UHFFFAOYSA-N -1 0 244.237 3.016 20 0 BGADRM CCC(CC)OC(=O)c1c(F)cc([O-])cc1F ZINC000754821646 585291214 /nfs/dbraw/zinc/29/12/14/585291214.db2.gz XVSUVSAYGCGLRA-UHFFFAOYSA-N -1 0 244.237 3.016 20 0 BGADRM CCC[C@@H](C)OC(=O)c1cc(F)c([O-])c(F)c1 ZINC000759536915 585375063 /nfs/dbraw/zinc/37/50/63/585375063.db2.gz AYAMPJCYPIAKBQ-SSDOTTSWSA-N -1 0 244.237 3.016 20 0 BGADRM CCC[C@H](C)OC(=O)c1cc(F)c([O-])c(F)c1 ZINC000759536918 585374631 /nfs/dbraw/zinc/37/46/31/585374631.db2.gz AYAMPJCYPIAKBQ-ZETCQYMHSA-N -1 0 244.237 3.016 20 0 BGADRM CCCCCOC(=O)c1cc(F)c([O-])c(F)c1 ZINC000759541053 585375163 /nfs/dbraw/zinc/37/51/63/585375163.db2.gz OTDUYQDQCKLSII-UHFFFAOYSA-N -1 0 244.237 3.017 20 0 BGADRM CCC(CC)OC(=O)c1cc(F)c([O-])c(F)c1 ZINC000759542832 585375311 /nfs/dbraw/zinc/37/53/11/585375311.db2.gz WNBKLAPSPDEPLS-UHFFFAOYSA-N -1 0 244.237 3.016 20 0 BGADRM CC(C)=C(C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000759714448 585379435 /nfs/dbraw/zinc/37/94/35/585379435.db2.gz YXPAELLLIINDNI-UHFFFAOYSA-N -1 0 239.702 3.340 20 0 BGADRM CC(C)c1noc(-c2cccc(Cl)c2[O-])n1 ZINC000761344848 585414145 /nfs/dbraw/zinc/41/41/45/585414145.db2.gz PZASTAQRKXXRNO-UHFFFAOYSA-N -1 0 238.674 3.219 20 0 BGADRM CCC[C@@H](C)c1noc(-c2ccccc2O)n1 ZINC000761843371 585420038 /nfs/dbraw/zinc/42/00/38/585420038.db2.gz KXXYAPICJCCXCK-SECBINFHSA-N -1 0 232.283 3.346 20 0 BGADRM CCC[C@H](C)c1noc(-c2ccccc2O)n1 ZINC000761843373 585420005 /nfs/dbraw/zinc/42/00/05/585420005.db2.gz KXXYAPICJCCXCK-VIFPVBQESA-N -1 0 232.283 3.346 20 0 BGADRM CCC(CC)OC(=O)c1cc(-c2ccco2)[nH]n1 ZINC000762110775 641717514 /nfs/dbraw/zinc/71/75/14/641717514.db2.gz OUIXMWHEKTXPKS-UHFFFAOYSA-N -1 0 248.282 3.015 20 0 BGADRM O=C([N-]OCc1ccccc1)C(F)=C1CCCC1 ZINC000762595016 585434348 /nfs/dbraw/zinc/43/43/48/585434348.db2.gz WVEUPTZQPFSBPP-UHFFFAOYSA-N -1 0 249.285 3.032 20 0 BGADRM O=C(OCC1CCC1)c1ccc([O-])c(Cl)c1 ZINC000762828510 584916237 /nfs/dbraw/zinc/91/62/37/584916237.db2.gz GCMSJUACTOESOK-UHFFFAOYSA-N -1 0 240.686 3.003 20 0 BGADRM O=C(OCCC1CC1)c1ccc([O-])c(Cl)c1 ZINC000762829963 585438111 /nfs/dbraw/zinc/43/81/11/585438111.db2.gz LWGWNVJJIZQWBQ-UHFFFAOYSA-N -1 0 240.686 3.003 20 0 BGADRM CCC(CC)OC(=O)c1ccc([O-])c(Cl)c1 ZINC000762831977 585438141 /nfs/dbraw/zinc/43/81/41/585438141.db2.gz SUMLXXXMIYUHGE-UHFFFAOYSA-N -1 0 242.702 3.391 20 0 BGADRM CCC[C@@H](C)OC(=O)c1ccc([O-])c(Cl)c1 ZINC000762832948 712411700 /nfs/dbraw/zinc/41/17/00/712411700.db2.gz XQKHWENVLMODGJ-MRVPVSSYSA-N -1 0 242.702 3.391 20 0 BGADRM CCC[C@H](C)OC(=O)c1ccc([O-])c(Cl)c1 ZINC000762832950 712411653 /nfs/dbraw/zinc/41/16/53/712411653.db2.gz XQKHWENVLMODGJ-QMMMGPOBSA-N -1 0 242.702 3.391 20 0 BGADRM CCC(=CC(=O)Nc1ccc(C(=O)[O-])cc1)CC ZINC000766739493 585507534 /nfs/dbraw/zinc/50/75/34/585507534.db2.gz VGQBNEUNIRJJTO-UHFFFAOYSA-N -1 0 247.294 3.070 20 0 BGADRM CC(C)(C)C(=O)NOCc1cc2ccccc2o1 ZINC000767828980 585526588 /nfs/dbraw/zinc/52/65/88/585526588.db2.gz VIAFJOQEZPWKQI-UHFFFAOYSA-N -1 0 247.294 3.027 20 0 BGADRM CC/C=C\CCSCc1nc(C)cc(=O)[nH]1 ZINC000767865419 585527099 /nfs/dbraw/zinc/52/70/99/585527099.db2.gz GFBHFXLUOZOPNU-PLNGDYQASA-N -1 0 238.356 3.080 20 0 BGADRM CC/C=C/CCSCc1nc(C)cc(=O)[nH]1 ZINC000767865422 585526969 /nfs/dbraw/zinc/52/69/69/585526969.db2.gz GFBHFXLUOZOPNU-SNAWJCMRSA-N -1 0 238.356 3.080 20 0 BGADRM CC(C)=CC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000771509076 585595647 /nfs/dbraw/zinc/59/56/47/585595647.db2.gz GGTAZFCEGDHEAG-UHFFFAOYSA-N -1 0 243.665 3.089 20 0 BGADRM C/C=C(/C)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000771510222 585595536 /nfs/dbraw/zinc/59/55/36/585595536.db2.gz HQFZQBXBUYOGHU-UTCJRWHESA-N -1 0 243.665 3.089 20 0 BGADRM C/C=C(\C)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000771510223 585595461 /nfs/dbraw/zinc/59/54/61/585595461.db2.gz HQFZQBXBUYOGHU-ZZXKWVIFSA-N -1 0 243.665 3.089 20 0 BGADRM CC(C)CC1(C(=O)[N-]Oc2ccccc2)CCC1 ZINC000773465609 644692867 /nfs/dbraw/zinc/69/28/67/644692867.db2.gz HDZCBRKRSNRFQA-UHFFFAOYSA-N -1 0 247.338 3.313 20 0 BGADRM CCC1(C(=O)[N-]Oc2ccccc2)CCCC1 ZINC000773471231 585637459 /nfs/dbraw/zinc/63/74/59/585637459.db2.gz YUSVXNAAZGZMJF-UHFFFAOYSA-N -1 0 233.311 3.067 20 0 BGADRM CC(C)CO[N-]C(=O)/C(F)=C/C1CCCCC1 ZINC000774441632 585659317 /nfs/dbraw/zinc/65/93/17/585659317.db2.gz NBNMZOIEXIKYLO-WQLSENKSSA-N -1 0 243.322 3.124 20 0 BGADRM CC(C)CO[N-]C(=O)/C(F)=C\C1CCCCC1 ZINC000774441642 585659293 /nfs/dbraw/zinc/65/92/93/585659293.db2.gz NBNMZOIEXIKYLO-XYOKQWHBSA-N -1 0 243.322 3.124 20 0 BGADRM O=C(NOC1CCCCC1)Nc1ccccc1 ZINC000777912438 585723831 /nfs/dbraw/zinc/72/38/31/585723831.db2.gz WCCYVAWRHVKODI-UHFFFAOYSA-N -1 0 234.299 3.072 20 0 BGADRM O=C([N-]OC1CCCCC1)C(F)=C1CCCC1 ZINC000779316961 585750626 /nfs/dbraw/zinc/75/06/26/585750626.db2.gz NSEXOXDBGXLBHB-UHFFFAOYSA-N -1 0 241.306 3.165 20 0 BGADRM CCN(CCCCC(=O)[O-])c1ccc(C)cc1C ZINC000783730238 585840992 /nfs/dbraw/zinc/84/09/92/585840992.db2.gz NDCOCHZVCLAFJX-UHFFFAOYSA-N -1 0 249.354 3.385 20 0 BGADRM Cc1cc(CNc2cccc(C(=O)[O-])c2)c(C)o1 ZINC000789898017 585952577 /nfs/dbraw/zinc/95/25/77/585952577.db2.gz ARPJGGKHCZHIEF-UHFFFAOYSA-N -1 0 245.278 3.207 20 0 BGADRM CC[C@@H](C(=O)[O-])N(C)c1ccc2ccccc2c1 ZINC000790231189 585961623 /nfs/dbraw/zinc/96/16/23/585961623.db2.gz PKKNRLZBYGYZHK-AWEZNQCLSA-N -1 0 243.306 3.139 20 0 BGADRM CC[C@H](C(=O)[O-])N(C)c1ccc2ccccc2c1 ZINC000790231190 585961693 /nfs/dbraw/zinc/96/16/93/585961693.db2.gz PKKNRLZBYGYZHK-CQSZACIVSA-N -1 0 243.306 3.139 20 0 BGADRM CCCCS[C@H](C)C(=O)[N-]OC[C@H](C)CC ZINC000794852521 586051252 /nfs/dbraw/zinc/05/12/52/586051252.db2.gz JSVDSWNLOVHIMD-GHMZBOCLSA-N -1 0 247.404 3.002 20 0 BGADRM CCCCS[C@@H](C)C(=O)[N-]OC[C@H](C)CC ZINC000794852523 586051235 /nfs/dbraw/zinc/05/12/35/586051235.db2.gz JSVDSWNLOVHIMD-MNOVXSKESA-N -1 0 247.404 3.002 20 0 BGADRM CCCCS[C@@H](C)C(=O)[N-]OC[C@@H](C)CC ZINC000794852524 586051336 /nfs/dbraw/zinc/05/13/36/586051336.db2.gz JSVDSWNLOVHIMD-QWRGUYRKSA-N -1 0 247.404 3.002 20 0 BGADRM CCCCS[C@H](C)C(=O)[N-]OC[C@@H](C)CC ZINC000794852526 586051122 /nfs/dbraw/zinc/05/11/22/586051122.db2.gz JSVDSWNLOVHIMD-WDEREUQCSA-N -1 0 247.404 3.002 20 0 BGADRM CC[C@@H](C)COC(=O)c1cc([S-])ccc1F ZINC000798719544 586149115 /nfs/dbraw/zinc/14/91/15/586149115.db2.gz LVHUUWQMGHSSDX-MRVPVSSYSA-N -1 0 242.315 3.317 20 0 BGADRM CC[C@H](C)COC(=O)c1cc([S-])ccc1F ZINC000798719545 586149060 /nfs/dbraw/zinc/14/90/60/586149060.db2.gz LVHUUWQMGHSSDX-QMMMGPOBSA-N -1 0 242.315 3.317 20 0 BGADRM O=C(OC/C=C/Cl)c1cc([S-])ccc1F ZINC000798723255 586149047 /nfs/dbraw/zinc/14/90/47/586149047.db2.gz IHTTWTCDGNXXHQ-DAFODLJHSA-N -1 0 246.690 3.024 20 0 BGADRM O=C(OC/C=C\Cl)c1cc([S-])ccc1F ZINC000798723256 586149208 /nfs/dbraw/zinc/14/92/08/586149208.db2.gz IHTTWTCDGNXXHQ-RJRFIUFISA-N -1 0 246.690 3.024 20 0 BGADRM O=C(OCCCCF)c1cc([S-])ccc1F ZINC000803517700 586363788 /nfs/dbraw/zinc/36/37/88/586363788.db2.gz STYBIBWHUYGWGJ-UHFFFAOYSA-N -1 0 246.278 3.021 20 0 BGADRM CSCCONC(=O)CCCCC(C)(C)C ZINC000804636402 586404245 /nfs/dbraw/zinc/40/42/45/586404245.db2.gz AMZHOSWNYSPHHI-UHFFFAOYSA-N -1 0 247.404 3.004 20 0 BGADRM C/C=C(/C)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805260047 644653814 /nfs/dbraw/zinc/65/38/14/644653814.db2.gz XZTHPQAJNFXXDC-UTCJRWHESA-N -1 0 243.665 3.089 20 0 BGADRM C/C=C(\C)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805260048 644653366 /nfs/dbraw/zinc/65/33/66/644653366.db2.gz XZTHPQAJNFXXDC-ZZXKWVIFSA-N -1 0 243.665 3.089 20 0 BGADRM CC(C)=CC(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805261612 585441495 /nfs/dbraw/zinc/44/14/95/585441495.db2.gz HQDHJDMLCCVHHZ-UHFFFAOYSA-N -1 0 243.665 3.089 20 0 BGADRM CC(C)=CCOC(=O)c1cc([S-])ccc1F ZINC000808548961 586479390 /nfs/dbraw/zinc/47/93/90/586479390.db2.gz UMDUEFUGHWAMQX-UHFFFAOYSA-N -1 0 240.299 3.237 20 0 BGADRM O=C([N-]OC1CCCCC1)C1(F)CCCCC1 ZINC000810690061 586544583 /nfs/dbraw/zinc/54/45/83/586544583.db2.gz QFUOHCPYPYSQIQ-UHFFFAOYSA-N -1 0 243.322 3.039 20 0 BGADRM CCC[C@H](C(=O)[N-]OC1CCC1)c1ccccc1 ZINC000812791054 586585232 /nfs/dbraw/zinc/58/52/32/586585232.db2.gz HCCRNYYCZFPEMS-AWEZNQCLSA-N -1 0 247.338 3.171 20 0 BGADRM CCC[C@@H](C(=O)[N-]OC1CCC1)c1ccccc1 ZINC000812791056 586585119 /nfs/dbraw/zinc/58/51/19/586585119.db2.gz HCCRNYYCZFPEMS-CQSZACIVSA-N -1 0 247.338 3.171 20 0 BGADRM CC(C)[C@H](C(=O)[N-]OC1CCC1)c1ccccc1 ZINC000812795959 586586035 /nfs/dbraw/zinc/58/60/35/586586035.db2.gz HBVBJAARBGMZAH-AWEZNQCLSA-N -1 0 247.338 3.027 20 0 BGADRM CC(C)[C@@H](C(=O)[N-]OC1CCC1)c1ccccc1 ZINC000812795960 586586174 /nfs/dbraw/zinc/58/61/74/586586174.db2.gz HBVBJAARBGMZAH-CQSZACIVSA-N -1 0 247.338 3.027 20 0 BGADRM CC[C@@H](C)CON=c1nc(CC(C)C)[n-]s1 ZINC000813622033 586604672 /nfs/dbraw/zinc/60/46/72/586604672.db2.gz KBCQYULODDAVBP-SECBINFHSA-N -1 0 243.376 3.126 20 0 BGADRM CC[C@H](C)CON=c1nc(CC(C)C)[n-]s1 ZINC000813622040 586604748 /nfs/dbraw/zinc/60/47/48/586604748.db2.gz KBCQYULODDAVBP-VIFPVBQESA-N -1 0 243.376 3.126 20 0 BGADRM CC[C@@H](C)CON=c1nc(C(C)C)[n-]s1 ZINC000813622330 586604670 /nfs/dbraw/zinc/60/46/70/586604670.db2.gz PLWGODFELCUCJO-MRVPVSSYSA-N -1 0 229.349 3.051 20 0 BGADRM CC[C@H](C)CON=c1nc(C(C)C)[n-]s1 ZINC000813622331 586604702 /nfs/dbraw/zinc/60/47/02/586604702.db2.gz PLWGODFELCUCJO-QMMMGPOBSA-N -1 0 229.349 3.051 20 0 BGADRM Cc1ccc(NC(=O)NOCCC2CC2)c(C)c1 ZINC000814308189 586621251 /nfs/dbraw/zinc/62/12/51/586621251.db2.gz GXGCRPMRQYPSBS-UHFFFAOYSA-N -1 0 248.326 3.157 20 0 BGADRM Cc1cc(C)cc(NC(=O)NOCCC2CC2)c1 ZINC000814308235 586621141 /nfs/dbraw/zinc/62/11/41/586621141.db2.gz IBRIQUOWQYJJSS-UHFFFAOYSA-N -1 0 248.326 3.157 20 0 BGADRM Cc1ccc(NC(=O)NOCCC2CC2)cc1C ZINC000814308763 586621120 /nfs/dbraw/zinc/62/11/20/586621120.db2.gz PLYWCKXCYAGYMD-UHFFFAOYSA-N -1 0 248.326 3.157 20 0 BGADRM CCc1ccc(NC(=O)NOCCC2CC2)cc1 ZINC000814309010 586621172 /nfs/dbraw/zinc/62/11/72/586621172.db2.gz VOAPHOUDXJBGAN-UHFFFAOYSA-N -1 0 248.326 3.102 20 0 BGADRM Cc1cccc(NC(=O)NOCCC2CC2)c1C ZINC000814309366 586621267 /nfs/dbraw/zinc/62/12/67/586621267.db2.gz DPBNWNYVJRMJAY-UHFFFAOYSA-N -1 0 248.326 3.157 20 0 BGADRM CCc1cccc(NC(=O)NOCCC2CC2)c1 ZINC000814487085 586622836 /nfs/dbraw/zinc/62/28/36/586622836.db2.gz UNIOBDAQYTVHND-UHFFFAOYSA-N -1 0 248.326 3.102 20 0 BGADRM Cc1cccc(C)c1NC(=O)NOCCC1CC1 ZINC000814488291 586622854 /nfs/dbraw/zinc/62/28/54/586622854.db2.gz XYEFYQPSFUEDRY-UHFFFAOYSA-N -1 0 248.326 3.157 20 0 BGADRM CC(C)(C(=O)[N-]Oc1ccccc1)C1CCCC1 ZINC000816684515 586755557 /nfs/dbraw/zinc/75/55/57/586755557.db2.gz DUIIPLCABPYXAF-UHFFFAOYSA-N -1 0 247.338 3.313 20 0 BGADRM CC[C@@H](C)CONC(=O)C1(CC(C)C)CCC1 ZINC000816978362 584982582 /nfs/dbraw/zinc/98/25/82/584982582.db2.gz RLOYHAJVZRUZIU-GFCCVEGCSA-N -1 0 241.375 3.297 20 0 BGADRM CC(C)CON=c1nc(C2CCCC2)[n-]s1 ZINC000817121338 586782398 /nfs/dbraw/zinc/78/23/98/586782398.db2.gz WOWWJDNDNDXALC-UHFFFAOYSA-N -1 0 241.360 3.195 20 0 BGADRM CC(C)CC1(C(=O)NOCCC2CC2)CCC1 ZINC000817404249 644979453 /nfs/dbraw/zinc/97/94/53/644979453.db2.gz ZQMXEWMSMVJHTG-UHFFFAOYSA-N -1 0 239.359 3.051 20 0 BGADRM O=C(CCCC1CCCC1)NOCCC1CC1 ZINC000817407735 644979785 /nfs/dbraw/zinc/97/97/85/644979785.db2.gz ACWYXGPFFVJCNK-UHFFFAOYSA-N -1 0 239.359 3.195 20 0 BGADRM Cc1cccc([C@@H](C)S[C@H](C)C(=O)[O-])c1 ZINC000818939350 586915790 /nfs/dbraw/zinc/91/57/90/586915790.db2.gz SGNRGGGSLXBLGZ-NXEZZACHSA-N -1 0 224.325 3.262 20 0 BGADRM Cc1cccc([C@H](C)S[C@@H](C)C(=O)[O-])c1 ZINC000818939351 586916247 /nfs/dbraw/zinc/91/62/47/586916247.db2.gz SGNRGGGSLXBLGZ-UWVGGRQHSA-N -1 0 224.325 3.262 20 0 BGADRM Cc1cccc([C@H](C)S[C@H](C)C(=O)[O-])c1 ZINC000818939352 586916136 /nfs/dbraw/zinc/91/61/36/586916136.db2.gz SGNRGGGSLXBLGZ-VHSXEESVSA-N -1 0 224.325 3.262 20 0 BGADRM Cc1cccc([C@@H](C)S[C@@H](C)C(=O)[O-])c1 ZINC000818939353 586916202 /nfs/dbraw/zinc/91/62/02/586916202.db2.gz SGNRGGGSLXBLGZ-ZJUUUORDSA-N -1 0 224.325 3.262 20 0 BGADRM CC1(C(=O)[N-]Oc2ccccc2)CCCCCC1 ZINC000820043154 587015115 /nfs/dbraw/zinc/01/51/15/587015115.db2.gz MIIVPBNDHBPGOI-UHFFFAOYSA-N -1 0 247.338 3.457 20 0 BGADRM CCC[C@@H](C)Sc1cccc(-c2nn[nH]n2)c1 ZINC000821014986 587088403 /nfs/dbraw/zinc/08/84/03/587088403.db2.gz MTGSFEWGIPNKOP-SECBINFHSA-N -1 0 248.355 3.147 20 0 BGADRM CCC[C@H](C)Sc1cccc(-c2nn[nH]n2)c1 ZINC000821014987 587088639 /nfs/dbraw/zinc/08/86/39/587088639.db2.gz MTGSFEWGIPNKOP-VIFPVBQESA-N -1 0 248.355 3.147 20 0 BGADRM CCC[C@@H](C)Sc1ccc(-c2nn[nH]n2)cc1 ZINC000821015018 587088418 /nfs/dbraw/zinc/08/84/18/587088418.db2.gz MYFBWNIAKIQFIT-SECBINFHSA-N -1 0 248.355 3.147 20 0 BGADRM CCC[C@H](C)Sc1ccc(-c2nn[nH]n2)cc1 ZINC000821015019 587088619 /nfs/dbraw/zinc/08/86/19/587088619.db2.gz MYFBWNIAKIQFIT-VIFPVBQESA-N -1 0 248.355 3.147 20 0 BGADRM CCC[C@@H](C)Sc1ccccc1-c1nn[nH]n1 ZINC000821015649 587088452 /nfs/dbraw/zinc/08/84/52/587088452.db2.gz RSUKTQGDAJFTJS-SECBINFHSA-N -1 0 248.355 3.147 20 0 BGADRM CCC[C@H](C)Sc1ccccc1-c1nn[nH]n1 ZINC000821015650 587088348 /nfs/dbraw/zinc/08/83/48/587088348.db2.gz RSUKTQGDAJFTJS-VIFPVBQESA-N -1 0 248.355 3.147 20 0 BGADRM C/C(=C\c1cc(F)c([O-])c(F)c1)c1ncccn1 ZINC000821017857 587088903 /nfs/dbraw/zinc/08/89/03/587088903.db2.gz QJCKTGWNNUZBQF-VMPITWQZSA-N -1 0 248.232 3.021 20 0 BGADRM C/C(=C\c1ccc([O-])c(Cl)c1)c1ncccn1 ZINC000821018252 587088911 /nfs/dbraw/zinc/08/89/11/587088911.db2.gz ZAJHKUBCFRRPEK-VQHVLOKHSA-N -1 0 246.697 3.396 20 0 BGADRM CC(C)=C(C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000824038254 585028540 /nfs/dbraw/zinc/02/85/40/585028540.db2.gz ADKZCRPMCBLLDY-UHFFFAOYSA-N -1 0 248.282 3.071 20 0 BGADRM CC(C)=C(C)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000824038330 587250379 /nfs/dbraw/zinc/25/03/79/587250379.db2.gz CBYBOVZHGCFSPX-UHFFFAOYSA-N -1 0 248.282 3.071 20 0 BGADRM CC(C)[C@H](C)SCC1CCN(C(=O)[O-])CC1 ZINC000824070562 587253227 /nfs/dbraw/zinc/25/32/27/587253227.db2.gz DHJXTLJXRXYSMG-JTQLQIEISA-N -1 0 245.388 3.154 20 0 BGADRM CC(C)[C@@H](C)SCC1CCN(C(=O)[O-])CC1 ZINC000824070563 587252997 /nfs/dbraw/zinc/25/29/97/587252997.db2.gz DHJXTLJXRXYSMG-SNVBAGLBSA-N -1 0 245.388 3.154 20 0 BGADRM CC(C)CNc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000824269220 587263984 /nfs/dbraw/zinc/26/39/84/587263984.db2.gz YHQRLRLDVMPRFR-UHFFFAOYSA-N -1 0 248.326 3.185 20 0 BGADRM C[C@H](NC(=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000825370859 587317406 /nfs/dbraw/zinc/31/74/06/587317406.db2.gz CDRIHFQWOAIQHX-JTQLQIEISA-N -1 0 242.278 3.077 20 0 BGADRM C[C@@H](NC(=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000825370861 587317272 /nfs/dbraw/zinc/31/72/72/587317272.db2.gz CDRIHFQWOAIQHX-SNVBAGLBSA-N -1 0 242.278 3.077 20 0 BGADRM C[C@H](NC(=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000825371392 587317649 /nfs/dbraw/zinc/31/76/49/587317649.db2.gz GCXZHCJETLOWOJ-JTQLQIEISA-N -1 0 242.278 3.077 20 0 BGADRM C[C@@H](NC(=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000825371394 587317475 /nfs/dbraw/zinc/31/74/75/587317475.db2.gz GCXZHCJETLOWOJ-SNVBAGLBSA-N -1 0 242.278 3.077 20 0 BGADRM C[C@@H](NC(=O)[O-])c1ccc(N[C@H](C)C2CC2)cc1 ZINC000825448943 587319695 /nfs/dbraw/zinc/31/96/95/587319695.db2.gz IFSUJENXKGSCHS-NXEZZACHSA-N -1 0 248.326 3.226 20 0 BGADRM C[C@H](NC(=O)[O-])c1ccc(N[C@@H](C)C2CC2)cc1 ZINC000825448945 587319727 /nfs/dbraw/zinc/31/97/27/587319727.db2.gz IFSUJENXKGSCHS-UWVGGRQHSA-N -1 0 248.326 3.226 20 0 BGADRM C[C@@H](NC(=O)[O-])c1ccc(N[C@@H](C)C2CC2)cc1 ZINC000825448947 587319730 /nfs/dbraw/zinc/31/97/30/587319730.db2.gz IFSUJENXKGSCHS-VHSXEESVSA-N -1 0 248.326 3.226 20 0 BGADRM C[C@@H](Nc1ccc([C@H](C)NC(=O)[O-])cc1)C1CC1 ZINC000825448948 587319895 /nfs/dbraw/zinc/31/98/95/587319895.db2.gz IFSUJENXKGSCHS-ZJUUUORDSA-N -1 0 248.326 3.226 20 0 BGADRM C/C(=C/CN(c1ccc(C)cc1)C(C)C)C(=O)[O-] ZINC000825734585 587334950 /nfs/dbraw/zinc/33/49/50/587334950.db2.gz JNLBNBYKFGDKQT-LCYFTJDESA-N -1 0 247.338 3.241 20 0 BGADRM C/C(=C\CN(c1ccc(C)cc1)C(C)C)C(=O)[O-] ZINC000825734587 587334977 /nfs/dbraw/zinc/33/49/77/587334977.db2.gz JNLBNBYKFGDKQT-UKTHLTGXSA-N -1 0 247.338 3.241 20 0 BGADRM C/C(=C/CN(c1ccccc1C)C(C)C)C(=O)[O-] ZINC000825734807 587335009 /nfs/dbraw/zinc/33/50/09/587335009.db2.gz LEEFPYUMFAXKIR-LCYFTJDESA-N -1 0 247.338 3.241 20 0 BGADRM C/C(=C\CN(c1ccccc1C)C(C)C)C(=O)[O-] ZINC000825734808 587334799 /nfs/dbraw/zinc/33/47/99/587334799.db2.gz LEEFPYUMFAXKIR-UKTHLTGXSA-N -1 0 247.338 3.241 20 0 BGADRM C/C(=C/CN(c1cccc(C)c1)C(C)C)C(=O)[O-] ZINC000825734843 584891585 /nfs/dbraw/zinc/89/15/85/584891585.db2.gz LMDBWGSCAJZLCR-JYRVWZFOSA-N -1 0 247.338 3.241 20 0 BGADRM C/C(=C\CN(c1cccc(C)c1)C(C)C)C(=O)[O-] ZINC000825734854 584891500 /nfs/dbraw/zinc/89/15/00/584891500.db2.gz LMDBWGSCAJZLCR-MDWZMJQESA-N -1 0 247.338 3.241 20 0 BGADRM C/C(=C\CSC1=Nc2ccccc2C1)C(=O)[O-] ZINC000825786986 587339282 /nfs/dbraw/zinc/33/92/82/587339282.db2.gz SIEBVRZCIDHMME-RMKNXTFCSA-N -1 0 247.319 3.037 20 0 BGADRM C/C(=C/CSC1=Nc2ccccc2C1)C(=O)[O-] ZINC000825786987 587339233 /nfs/dbraw/zinc/33/92/33/587339233.db2.gz SIEBVRZCIDHMME-TWGQIWQCSA-N -1 0 247.319 3.037 20 0 BGADRM C/C(=C\CSCC1CCCCC1)C(=O)[O-] ZINC000825787152 587339116 /nfs/dbraw/zinc/33/91/16/587339116.db2.gz WUXMMYUDURKAKD-JXMROGBWSA-N -1 0 228.357 3.331 20 0 BGADRM C/C(=C/CSCC1CCCCC1)C(=O)[O-] ZINC000825787153 587339376 /nfs/dbraw/zinc/33/93/76/587339376.db2.gz WUXMMYUDURKAKD-YFHOEESVSA-N -1 0 228.357 3.331 20 0 BGADRM CC(C)(CNC(=O)[O-])Cc1cccc(Cl)c1 ZINC000826596406 601688177 /nfs/dbraw/zinc/68/81/77/601688177.db2.gz VEWZPTBEYMTPAK-UHFFFAOYSA-N -1 0 241.718 3.176 20 0 BGADRM CC(C)=C(C)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000826642455 587357506 /nfs/dbraw/zinc/35/75/06/587357506.db2.gz ZPFSVKTUWHMXMX-UHFFFAOYSA-N -1 0 248.282 3.071 20 0 BGADRM CC(C)=CCNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000826648267 587357722 /nfs/dbraw/zinc/35/77/22/587357722.db2.gz WRJZKAJIHBSAOX-UHFFFAOYSA-N -1 0 239.702 3.416 20 0 BGADRM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)[O-] ZINC000826688111 587359113 /nfs/dbraw/zinc/35/91/13/587359113.db2.gz VCONWVMJXPSWNL-GFCCVEGCSA-N -1 0 239.290 3.003 20 0 BGADRM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)[O-] ZINC000826688112 587358960 /nfs/dbraw/zinc/35/89/60/587358960.db2.gz VCONWVMJXPSWNL-LBPRGKRZSA-N -1 0 239.290 3.003 20 0 BGADRM CC/C=C(/C)C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000826699963 587359558 /nfs/dbraw/zinc/35/95/58/587359558.db2.gz NYVCAKLFOWMGEC-UITAMQMPSA-N -1 0 249.266 3.038 20 0 BGADRM CC/C=C(\C)C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000826699964 587359462 /nfs/dbraw/zinc/35/94/62/587359462.db2.gz NYVCAKLFOWMGEC-WEVVVXLNSA-N -1 0 249.266 3.038 20 0 BGADRM CCC[C@H](NC(=O)[O-])c1ccc(F)cc1F ZINC000826764889 587361724 /nfs/dbraw/zinc/36/17/24/587361724.db2.gz MBPQVOJJUBIFKP-JTQLQIEISA-N -1 0 229.226 3.074 20 0 BGADRM CCC[C@@H](NC(=O)[O-])c1ccc(F)cc1F ZINC000826764891 587361696 /nfs/dbraw/zinc/36/16/96/587361696.db2.gz MBPQVOJJUBIFKP-SNVBAGLBSA-N -1 0 229.226 3.074 20 0 BGADRM CCC/C=C/C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000826775718 587362239 /nfs/dbraw/zinc/36/22/39/587362239.db2.gz SYCRTCWIGBTCDA-XBXARRHUSA-N -1 0 249.266 3.038 20 0 BGADRM CCC/C=C\C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000826775720 587362199 /nfs/dbraw/zinc/36/21/99/587362199.db2.gz SYCRTCWIGBTCDA-YWEYNIOJSA-N -1 0 249.266 3.038 20 0 BGADRM CCCCNc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000826842198 587363971 /nfs/dbraw/zinc/36/39/71/587363971.db2.gz JQERIVVEYDKZJN-JTQLQIEISA-N -1 0 236.315 3.227 20 0 BGADRM CCCCNc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000826842199 587363858 /nfs/dbraw/zinc/36/38/58/587363858.db2.gz JQERIVVEYDKZJN-SNVBAGLBSA-N -1 0 236.315 3.227 20 0 BGADRM CCCCNc1cc(NC(=O)[O-])ccc1F ZINC000826842811 584895908 /nfs/dbraw/zinc/89/59/08/584895908.db2.gz XGDWIBIGGDWVAN-UHFFFAOYSA-N -1 0 226.251 3.128 20 0 BGADRM CC(C)CCNc1ccc(F)c(NC(=O)[O-])c1 ZINC000826856038 587364337 /nfs/dbraw/zinc/36/43/37/587364337.db2.gz WTQHOSJREAFJGM-UHFFFAOYSA-N -1 0 240.278 3.374 20 0 BGADRM CC(C)CCNc1ccc(CCC(=O)[O-])cc1 ZINC000826856044 587364364 /nfs/dbraw/zinc/36/43/64/587364364.db2.gz XBJTVRNZINMVLY-UHFFFAOYSA-N -1 0 235.327 3.162 20 0 BGADRM CC(C)CCOc1ccc(NC(=O)[O-])cc1 ZINC000826860930 601111484 /nfs/dbraw/zinc/11/14/84/601111484.db2.gz JZKPJHOAKCMCNF-UHFFFAOYSA-N -1 0 223.272 3.201 20 0 BGADRM CC(C)CCOc1ccccc1NC(=O)[O-] ZINC000826861191 601318884 /nfs/dbraw/zinc/31/88/84/601318884.db2.gz QJARYHIZBPDSTN-UHFFFAOYSA-N -1 0 223.272 3.201 20 0 BGADRM CC(C)CN(C(=O)[O-])c1ccc(Cl)cc1 ZINC000826865197 587364636 /nfs/dbraw/zinc/36/46/36/587364636.db2.gz JYRDNACFYIILKU-UHFFFAOYSA-N -1 0 227.691 3.480 20 0 BGADRM CC(C)CNc1cc(Cl)cc(C(=O)[O-])c1 ZINC000826891394 601249876 /nfs/dbraw/zinc/24/98/76/601249876.db2.gz OIPGMUBTYXVOPM-UHFFFAOYSA-N -1 0 227.691 3.106 20 0 BGADRM CC(C)COc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000826900533 587364804 /nfs/dbraw/zinc/36/48/04/587364804.db2.gz HOWVDDJVTXELAG-JTQLQIEISA-N -1 0 237.299 3.050 20 0 BGADRM CC(C)COc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000826900534 587364803 /nfs/dbraw/zinc/36/48/03/587364803.db2.gz HOWVDDJVTXELAG-SNVBAGLBSA-N -1 0 237.299 3.050 20 0 BGADRM CC(C)CS[C@@H](C(=O)[O-])c1ccccc1F ZINC000826909573 587365199 /nfs/dbraw/zinc/36/51/99/587365199.db2.gz DZMQDEULODTMID-LLVKDONJSA-N -1 0 242.315 3.341 20 0 BGADRM CC(C)CS[C@H](C(=O)[O-])c1ccccc1F ZINC000826909574 587365205 /nfs/dbraw/zinc/36/52/05/587365205.db2.gz DZMQDEULODTMID-NSHDSACASA-N -1 0 242.315 3.341 20 0 BGADRM C[C@@H](CSCCCC1CCCC1)C(=O)[O-] ZINC000827576230 587390094 /nfs/dbraw/zinc/39/00/94/587390094.db2.gz WGIORDPOIHVJEI-JTQLQIEISA-N -1 0 230.373 3.411 20 0 BGADRM C[C@H](CSCCCC1CCCC1)C(=O)[O-] ZINC000827576231 587387484 /nfs/dbraw/zinc/38/74/84/587387484.db2.gz WGIORDPOIHVJEI-SNVBAGLBSA-N -1 0 230.373 3.411 20 0 BGADRM C[C@H](Nc1ccc(CN(C)C(=O)[O-])cc1)C1CC1 ZINC000827768985 587401475 /nfs/dbraw/zinc/40/14/75/587401475.db2.gz ZCVLSRWOJCJWET-JTQLQIEISA-N -1 0 248.326 3.007 20 0 BGADRM C[C@@H](Nc1ccc(CN(C)C(=O)[O-])cc1)C1CC1 ZINC000827768986 587401688 /nfs/dbraw/zinc/40/16/88/587401688.db2.gz ZCVLSRWOJCJWET-SNVBAGLBSA-N -1 0 248.326 3.007 20 0 BGADRM CC/C(C)=C/C(=O)Nc1cccc(Cl)c1[O-] ZINC000827828876 645085916 /nfs/dbraw/zinc/08/59/16/645085916.db2.gz GPXMQTWGMRRQHH-BQYQJAHWSA-N -1 0 239.702 3.340 20 0 BGADRM CC/C(C)=C\C(=O)Nc1cccc(Cl)c1[O-] ZINC000827828878 645085315 /nfs/dbraw/zinc/08/53/15/645085315.db2.gz GPXMQTWGMRRQHH-FPLPWBNLSA-N -1 0 239.702 3.340 20 0 BGADRM C[C@H](S[C@H]1CCc2ccc(F)cc21)C(=O)[O-] ZINC000827902877 587408805 /nfs/dbraw/zinc/40/88/05/587408805.db2.gz WPPIZEYHTOPXRF-CPCISQLKSA-N -1 0 240.299 3.019 20 0 BGADRM C[C@@H](S[C@H]1CCc2ccc(F)cc21)C(=O)[O-] ZINC000827902878 587408876 /nfs/dbraw/zinc/40/88/76/587408876.db2.gz WPPIZEYHTOPXRF-HQJQHLMTSA-N -1 0 240.299 3.019 20 0 BGADRM C[C@@H](S[C@@H]1CCc2ccc(F)cc21)C(=O)[O-] ZINC000827902879 587409055 /nfs/dbraw/zinc/40/90/55/587409055.db2.gz WPPIZEYHTOPXRF-RDDDGLTNSA-N -1 0 240.299 3.019 20 0 BGADRM C[C@H](S[C@@H]1CCc2ccc(F)cc21)C(=O)[O-] ZINC000827902880 584901183 /nfs/dbraw/zinc/90/11/83/584901183.db2.gz WPPIZEYHTOPXRF-WRWORJQWSA-N -1 0 240.299 3.019 20 0 BGADRM C[C@@H](SCc1cc2ccccc2o1)C(=O)[O-] ZINC000827907990 587409307 /nfs/dbraw/zinc/40/93/07/587409307.db2.gz FDESPJHDSQLMBF-MRVPVSSYSA-N -1 0 236.292 3.139 20 0 BGADRM C[C@H](SCc1cc2ccccc2o1)C(=O)[O-] ZINC000827907991 587409488 /nfs/dbraw/zinc/40/94/88/587409488.db2.gz FDESPJHDSQLMBF-QMMMGPOBSA-N -1 0 236.292 3.139 20 0 BGADRM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[O-] ZINC000827935965 587411085 /nfs/dbraw/zinc/41/10/85/587411085.db2.gz XXCRWHUKHONDDL-BDAKNGLRSA-N -1 0 241.718 3.442 20 0 BGADRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[O-] ZINC000827935967 587411056 /nfs/dbraw/zinc/41/10/56/587411056.db2.gz XXCRWHUKHONDDL-DTWKUNHWSA-N -1 0 241.718 3.442 20 0 BGADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[O-] ZINC000827935968 587410884 /nfs/dbraw/zinc/41/08/84/587410884.db2.gz XXCRWHUKHONDDL-IUCAKERBSA-N -1 0 241.718 3.442 20 0 BGADRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)[O-] ZINC000827935970 587411003 /nfs/dbraw/zinc/41/10/03/587411003.db2.gz XXCRWHUKHONDDL-RKDXNWHRSA-N -1 0 241.718 3.442 20 0 BGADRM C[C@]1(CCc2ccccc2)CCN(C(=O)[O-])C1 ZINC000828088757 601296263 /nfs/dbraw/zinc/29/62/63/601296263.db2.gz LZMOXOKBVNAGHU-AWEZNQCLSA-N -1 0 233.311 3.009 20 0 BGADRM C[C@@]1(CCc2ccccc2)CCN(C(=O)[O-])C1 ZINC000828088759 601296252 /nfs/dbraw/zinc/29/62/52/601296252.db2.gz LZMOXOKBVNAGHU-CQSZACIVSA-N -1 0 233.311 3.009 20 0 BGADRM CC1(c2ccccc2)CCC(NC(=O)[O-])CC1 ZINC000828121029 587420321 /nfs/dbraw/zinc/42/03/21/587420321.db2.gz BFAFWIDYXFYZTA-UHFFFAOYSA-N -1 0 233.311 3.155 20 0 BGADRM C[C@@H]1CCC[C@H]1Nc1cccc(NC(=O)[O-])c1 ZINC000828245257 587427172 /nfs/dbraw/zinc/42/71/72/587427172.db2.gz IPFQYCGPDSMDQQ-BXKDBHETSA-N -1 0 234.299 3.377 20 0 BGADRM C[C@H]1CCC[C@@H]1Nc1cccc(NC(=O)[O-])c1 ZINC000828245258 587427424 /nfs/dbraw/zinc/42/74/24/587427424.db2.gz IPFQYCGPDSMDQQ-CABZTGNLSA-N -1 0 234.299 3.377 20 0 BGADRM C[C@H]1CCC[C@H]1Nc1cccc(NC(=O)[O-])c1 ZINC000828245259 587427203 /nfs/dbraw/zinc/42/72/03/587427203.db2.gz IPFQYCGPDSMDQQ-JOYOIKCWSA-N -1 0 234.299 3.377 20 0 BGADRM C[C@@H]1CCC[C@@H]1Nc1cccc(NC(=O)[O-])c1 ZINC000828245261 587427290 /nfs/dbraw/zinc/42/72/90/587427290.db2.gz IPFQYCGPDSMDQQ-SKDRFNHKSA-N -1 0 234.299 3.377 20 0 BGADRM C[C@@H]1CCC[C@H]1Nc1ccc(NC(=O)[O-])cc1 ZINC000828245712 587427400 /nfs/dbraw/zinc/42/74/00/587427400.db2.gz NEHBGZVZXLFZIJ-BXKDBHETSA-N -1 0 234.299 3.377 20 0 BGADRM C[C@H]1CCC[C@@H]1Nc1ccc(NC(=O)[O-])cc1 ZINC000828245715 587427416 /nfs/dbraw/zinc/42/74/16/587427416.db2.gz NEHBGZVZXLFZIJ-CABZTGNLSA-N -1 0 234.299 3.377 20 0 BGADRM C[C@H]1CCC[C@H]1Nc1ccc(NC(=O)[O-])cc1 ZINC000828245717 587427320 /nfs/dbraw/zinc/42/73/20/587427320.db2.gz NEHBGZVZXLFZIJ-JOYOIKCWSA-N -1 0 234.299 3.377 20 0 BGADRM C[C@@H]1CCC[C@@H]1Nc1ccc(NC(=O)[O-])cc1 ZINC000828245718 587427483 /nfs/dbraw/zinc/42/74/83/587427483.db2.gz NEHBGZVZXLFZIJ-SKDRFNHKSA-N -1 0 234.299 3.377 20 0 BGADRM C/C=C\CSCc1ccc(C(=O)[O-])c(F)c1 ZINC000828541018 587449616 /nfs/dbraw/zinc/44/96/16/587449616.db2.gz BTLRGPVHRBDNSP-IHWYPQMZSA-N -1 0 240.299 3.333 20 0 BGADRM C/C=C/CSCc1ccc(C(=O)[O-])c(F)c1 ZINC000828541020 587449863 /nfs/dbraw/zinc/44/98/63/587449863.db2.gz BTLRGPVHRBDNSP-NSCUHMNNSA-N -1 0 240.299 3.333 20 0 BGADRM C/C=C\CSCc1ccc(C(=O)[O-])s1 ZINC000828542184 587449769 /nfs/dbraw/zinc/44/97/69/587449769.db2.gz JGDMMZPPGHFTDO-IHWYPQMZSA-N -1 0 228.338 3.256 20 0 BGADRM C/C=C/CSCc1ccc(C(=O)[O-])s1 ZINC000828542185 587449826 /nfs/dbraw/zinc/44/98/26/587449826.db2.gz JGDMMZPPGHFTDO-NSCUHMNNSA-N -1 0 228.338 3.256 20 0 BGADRM CCC(=CC(=O)Oc1cccc(C(=O)[O-])c1)CC ZINC000828548760 587450159 /nfs/dbraw/zinc/45/01/59/587450159.db2.gz DABIVDDYIUIPSI-UHFFFAOYSA-N -1 0 248.278 3.037 20 0 BGADRM CCC(=CC(=O)Oc1ccc(C(=O)[O-])cc1)CC ZINC000828548919 587450103 /nfs/dbraw/zinc/45/01/03/587450103.db2.gz HPKWHNVLKJWZQZ-UHFFFAOYSA-N -1 0 248.278 3.037 20 0 BGADRM CCC(=CC(=O)Nc1cccc(C(=O)[O-])c1)CC ZINC000828549218 587450077 /nfs/dbraw/zinc/45/00/77/587450077.db2.gz JSIZURWRBZXFLS-UHFFFAOYSA-N -1 0 247.294 3.070 20 0 BGADRM CCC(=CC(=O)Oc1ccccc1C(=O)[O-])CC ZINC000828549465 587450432 /nfs/dbraw/zinc/45/04/32/587450432.db2.gz LRHKDIVFYBRDLK-UHFFFAOYSA-N -1 0 248.278 3.037 20 0 BGADRM CCC(=CC(=O)Nc1ccccc1C(=O)[O-])CC ZINC000828549814 587450344 /nfs/dbraw/zinc/45/03/44/587450344.db2.gz RDQUSCOZLIIZAC-UHFFFAOYSA-N -1 0 247.294 3.070 20 0 BGADRM CC[C@@H](C)CNc1ccc(F)c(NC(=O)[O-])c1 ZINC000828746320 587459843 /nfs/dbraw/zinc/45/98/43/587459843.db2.gz BAQGEYXUHDRSML-MRVPVSSYSA-N -1 0 240.278 3.374 20 0 BGADRM CC[C@H](C)CNc1ccc(F)c(NC(=O)[O-])c1 ZINC000828746323 587459670 /nfs/dbraw/zinc/45/96/70/587459670.db2.gz BAQGEYXUHDRSML-QMMMGPOBSA-N -1 0 240.278 3.374 20 0 BGADRM CC[C@@H](C)COc1ccc(NC(=O)[O-])cc1 ZINC000828746675 587460370 /nfs/dbraw/zinc/46/03/70/587460370.db2.gz IBOJSDDYZIMDIP-SECBINFHSA-N -1 0 223.272 3.201 20 0 BGADRM CC[C@H](C)COc1ccc(NC(=O)[O-])cc1 ZINC000828746678 587460317 /nfs/dbraw/zinc/46/03/17/587460317.db2.gz IBOJSDDYZIMDIP-VIFPVBQESA-N -1 0 223.272 3.201 20 0 BGADRM CC[C@@H](C)CNc1cccc(NC(=O)[O-])c1 ZINC000828747043 587460203 /nfs/dbraw/zinc/46/02/03/587460203.db2.gz LFDZJLZZFUUQAG-SECBINFHSA-N -1 0 222.288 3.235 20 0 BGADRM CC[C@H](C)CNc1cccc(NC(=O)[O-])c1 ZINC000828747048 587460053 /nfs/dbraw/zinc/46/00/53/587460053.db2.gz LFDZJLZZFUUQAG-VIFPVBQESA-N -1 0 222.288 3.235 20 0 BGADRM CC[C@@H](C)COc1cccc(NC(=O)[O-])c1 ZINC000828747511 587460091 /nfs/dbraw/zinc/46/00/91/587460091.db2.gz QNHZWBASWRNMEP-SECBINFHSA-N -1 0 223.272 3.201 20 0 BGADRM CC[C@H](C)COc1cccc(NC(=O)[O-])c1 ZINC000828747512 587459985 /nfs/dbraw/zinc/45/99/85/587459985.db2.gz QNHZWBASWRNMEP-VIFPVBQESA-N -1 0 223.272 3.201 20 0 BGADRM CC[C@@H](C)CNc1ccc(CCC(=O)[O-])cc1 ZINC000828747793 587460076 /nfs/dbraw/zinc/46/00/76/587460076.db2.gz WVSTZBAYWHTKMY-LLVKDONJSA-N -1 0 235.327 3.162 20 0 BGADRM CC[C@H](C)CNc1ccc(CCC(=O)[O-])cc1 ZINC000828747794 587460050 /nfs/dbraw/zinc/46/00/50/587460050.db2.gz WVSTZBAYWHTKMY-NSHDSACASA-N -1 0 235.327 3.162 20 0 BGADRM CC[C@@H](C)COc1ccccc1NC(=O)[O-] ZINC000828747845 587460205 /nfs/dbraw/zinc/46/02/05/587460205.db2.gz YQAXLNCQHFDWOZ-SECBINFHSA-N -1 0 223.272 3.201 20 0 BGADRM CC[C@H](C)COc1ccccc1NC(=O)[O-] ZINC000828747846 587460282 /nfs/dbraw/zinc/46/02/82/587460282.db2.gz YQAXLNCQHFDWOZ-VIFPVBQESA-N -1 0 223.272 3.201 20 0 BGADRM CCC(CC)(CNC(=O)[O-])c1ccccc1 ZINC000828815239 587463705 /nfs/dbraw/zinc/46/37/05/587463705.db2.gz MJJPUISXWKZOFN-UHFFFAOYSA-N -1 0 221.300 3.012 20 0 BGADRM CCC(CC)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000828854833 587466884 /nfs/dbraw/zinc/46/68/84/587466884.db2.gz WHFJHAMPRPPMPI-GFCCVEGCSA-N -1 0 221.300 3.432 20 0 BGADRM CCC(CC)[C@H](NC(=O)[O-])c1ccccc1 ZINC000828854834 587467020 /nfs/dbraw/zinc/46/70/20/587467020.db2.gz WHFJHAMPRPPMPI-LBPRGKRZSA-N -1 0 221.300 3.432 20 0 BGADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)[O-] ZINC000828899964 587470162 /nfs/dbraw/zinc/47/01/62/587470162.db2.gz DCEAXIVEXGRQNM-GFCCVEGCSA-N -1 0 221.300 3.008 20 0 BGADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)[O-] ZINC000828899966 587470151 /nfs/dbraw/zinc/47/01/51/587470151.db2.gz DCEAXIVEXGRQNM-LBPRGKRZSA-N -1 0 221.300 3.008 20 0 BGADRM CC[C@@H](SC[C@@H](F)C(=O)[O-])c1ccccc1 ZINC000829020421 587479749 /nfs/dbraw/zinc/47/97/49/587479749.db2.gz DSUDLVCGQPWYLY-GHMZBOCLSA-N -1 0 242.315 3.294 20 0 BGADRM CC[C@H](SC[C@@H](F)C(=O)[O-])c1ccccc1 ZINC000829020422 587479888 /nfs/dbraw/zinc/47/98/88/587479888.db2.gz DSUDLVCGQPWYLY-MNOVXSKESA-N -1 0 242.315 3.294 20 0 BGADRM CC[C@H](SC[C@H](F)C(=O)[O-])c1ccccc1 ZINC000829020423 587479695 /nfs/dbraw/zinc/47/96/95/587479695.db2.gz DSUDLVCGQPWYLY-QWRGUYRKSA-N -1 0 242.315 3.294 20 0 BGADRM CC[C@@H](SC[C@H](F)C(=O)[O-])c1ccccc1 ZINC000829020424 587479914 /nfs/dbraw/zinc/47/99/14/587479914.db2.gz DSUDLVCGQPWYLY-WDEREUQCSA-N -1 0 242.315 3.294 20 0 BGADRM CC[C@@H](SCCC(=O)[O-])c1ccccc1 ZINC000829021624 587479810 /nfs/dbraw/zinc/47/98/10/587479810.db2.gz VSWGGBVGSNWEEQ-LLVKDONJSA-N -1 0 224.325 3.346 20 0 BGADRM CC[C@H](SCCC(=O)[O-])c1ccccc1 ZINC000829021632 587479789 /nfs/dbraw/zinc/47/97/89/587479789.db2.gz VSWGGBVGSNWEEQ-NSHDSACASA-N -1 0 224.325 3.346 20 0 BGADRM CC[C@H]1CN(C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000829143090 587484673 /nfs/dbraw/zinc/48/46/73/587484673.db2.gz XJQZVKIXSJQYKH-AAEUAGOBSA-N -1 0 233.311 3.180 20 0 BGADRM CC[C@@H]1CN(C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000829143091 587484828 /nfs/dbraw/zinc/48/48/28/587484828.db2.gz XJQZVKIXSJQYKH-DGCLKSJQSA-N -1 0 233.311 3.180 20 0 BGADRM CC[C@H]1CN(C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000829143093 587484836 /nfs/dbraw/zinc/48/48/36/587484836.db2.gz XJQZVKIXSJQYKH-WCQYABFASA-N -1 0 233.311 3.180 20 0 BGADRM CC[C@@H]1CN(C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000829143095 587484737 /nfs/dbraw/zinc/48/47/37/587484737.db2.gz XJQZVKIXSJQYKH-YPMHNXCESA-N -1 0 233.311 3.180 20 0 BGADRM CCCCCCNc1cccc(CC(=O)[O-])c1 ZINC000829356668 587493873 /nfs/dbraw/zinc/49/38/73/587493873.db2.gz GHGBSZMVAYSDKY-UHFFFAOYSA-N -1 0 235.327 3.306 20 0 BGADRM CCCCCNc1ccc(CCC(=O)[O-])cc1 ZINC000829363341 587494533 /nfs/dbraw/zinc/49/45/33/587494533.db2.gz DUGOJKWFPWRFPW-UHFFFAOYSA-N -1 0 235.327 3.306 20 0 BGADRM CCCCCNc1cccc(NC(=O)[O-])c1 ZINC000829363687 587494275 /nfs/dbraw/zinc/49/42/75/587494275.db2.gz KZJUJTZKRLURTA-UHFFFAOYSA-N -1 0 222.288 3.379 20 0 BGADRM CCCCCNc1ccc(CNC(=O)[O-])cc1 ZINC000829364241 587494557 /nfs/dbraw/zinc/49/45/57/587494557.db2.gz YAMUNETXRNNBLK-UHFFFAOYSA-N -1 0 236.315 3.056 20 0 BGADRM CCCCNc1ccc(CN(C)C(=O)[O-])cc1 ZINC000829401025 587495950 /nfs/dbraw/zinc/49/59/50/587495950.db2.gz BKTNEELBDRACHF-UHFFFAOYSA-N -1 0 236.315 3.008 20 0 BGADRM CCCCNc1ccc(F)c(NC(=O)[O-])c1 ZINC000829401390 587495757 /nfs/dbraw/zinc/49/57/57/587495757.db2.gz HAVOUFLJWWFLKQ-UHFFFAOYSA-N -1 0 226.251 3.128 20 0 BGADRM CCCCNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000829401768 587496077 /nfs/dbraw/zinc/49/60/77/587496077.db2.gz KBRAQWKSZGLZRG-UHFFFAOYSA-N -1 0 235.327 3.261 20 0 BGADRM CCCCc1ccc(N(C)C(=O)[O-])cc1 ZINC000829430731 587496845 /nfs/dbraw/zinc/49/68/45/587496845.db2.gz NBQBZLJELKIVOE-UHFFFAOYSA-N -1 0 207.273 3.143 20 0 BGADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)[O-])o1 ZINC000830238285 587543044 /nfs/dbraw/zinc/54/30/44/587543044.db2.gz QSZODJDERQDJAP-GXSJLCMTSA-N -1 0 237.299 3.293 20 0 BGADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[O-])o1 ZINC000830238288 587542883 /nfs/dbraw/zinc/54/28/83/587542883.db2.gz QSZODJDERQDJAP-KOLCDFICSA-N -1 0 237.299 3.293 20 0 BGADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)[O-])o1 ZINC000830238290 587542974 /nfs/dbraw/zinc/54/29/74/587542974.db2.gz QSZODJDERQDJAP-MWLCHTKSSA-N -1 0 237.299 3.293 20 0 BGADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[O-])o1 ZINC000830238293 587543156 /nfs/dbraw/zinc/54/31/56/587543156.db2.gz QSZODJDERQDJAP-ONGXEEELSA-N -1 0 237.299 3.293 20 0 BGADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)[O-])o1 ZINC000830281598 603242466 /nfs/dbraw/zinc/24/24/66/603242466.db2.gz IJGHRFZVKCBILW-PSASIEDQSA-N -1 0 223.272 3.039 20 0 BGADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[O-])o1 ZINC000830281599 603242474 /nfs/dbraw/zinc/24/24/74/603242474.db2.gz IJGHRFZVKCBILW-SCZZXKLOSA-N -1 0 223.272 3.039 20 0 BGADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)[O-])o1 ZINC000830281600 603242172 /nfs/dbraw/zinc/24/21/72/603242172.db2.gz IJGHRFZVKCBILW-WCBMZHEXSA-N -1 0 223.272 3.039 20 0 BGADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[O-])o1 ZINC000830281601 603242570 /nfs/dbraw/zinc/24/25/70/603242570.db2.gz IJGHRFZVKCBILW-WPRPVWTQSA-N -1 0 223.272 3.039 20 0 BGADRM Cc1ccc(CNc2ccc(NC(=O)[O-])cc2)o1 ZINC000830323793 587545799 /nfs/dbraw/zinc/54/57/99/587545799.db2.gz JYZGQAXFAOBWLP-UHFFFAOYSA-N -1 0 246.266 3.290 20 0 BGADRM CCc1oc(C(=O)[O-])cc1CNc1ccccc1 ZINC000830379437 601390345 /nfs/dbraw/zinc/39/03/45/601390345.db2.gz WEVFULVIANSLJF-UHFFFAOYSA-N -1 0 245.278 3.152 20 0 BGADRM CCc1oc(C(=O)[O-])cc1CSCC(C)C ZINC000830394865 587548581 /nfs/dbraw/zinc/54/85/81/587548581.db2.gz NVHGEEIDLOMPDN-UHFFFAOYSA-N -1 0 242.340 3.429 20 0 BGADRM CN(C(=O)[O-])c1ccc(NCc2ccoc2)cc1 ZINC000830519442 587555642 /nfs/dbraw/zinc/55/56/42/587555642.db2.gz RMGYLCBPHATTRO-UHFFFAOYSA-N -1 0 246.266 3.006 20 0 BGADRM Cc1ccoc1CNc1ccc(NC(=O)[O-])cc1 ZINC000830616020 587560517 /nfs/dbraw/zinc/56/05/17/587560517.db2.gz HFHAZFVAYPQEBF-UHFFFAOYSA-N -1 0 246.266 3.290 20 0 BGADRM CCC(F)(F)C(=O)Nc1cccc(Cl)c1[O-] ZINC000831271064 587594889 /nfs/dbraw/zinc/59/48/89/587594889.db2.gz CRAAFINSVGRFBL-UHFFFAOYSA-N -1 0 249.644 3.029 20 0 BGADRM CC1=CC[C@](C)(C(=O)NOC2CCCC2)CC1 ZINC000831707053 587628530 /nfs/dbraw/zinc/62/85/30/587628530.db2.gz UPJQHJBREXKVBB-AWEZNQCLSA-N -1 0 237.343 3.113 20 0 BGADRM O=C([O-])N(Cc1ccoc1)C1CCCCC1 ZINC000831829937 587633784 /nfs/dbraw/zinc/63/37/84/587633784.db2.gz BFNHDMUTDASXMO-UHFFFAOYSA-N -1 0 223.272 3.092 20 0 BGADRM O=C([O-])N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000832010017 587642408 /nfs/dbraw/zinc/64/24/08/587642408.db2.gz QVABITIRQUJFMK-JTQLQIEISA-N -1 0 246.266 3.033 20 0 BGADRM O=C([O-])N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000832010019 587642664 /nfs/dbraw/zinc/64/26/64/587642664.db2.gz QVABITIRQUJFMK-SNVBAGLBSA-N -1 0 246.266 3.033 20 0 BGADRM O=C([O-])N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000832147897 587646476 /nfs/dbraw/zinc/64/64/76/587646476.db2.gz KPFYCMRZNJMCHO-CYBMUJFWSA-N -1 0 245.253 3.183 20 0 BGADRM O=C([O-])N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000832147898 587646705 /nfs/dbraw/zinc/64/67/05/587646705.db2.gz KPFYCMRZNJMCHO-ZDUSSCGKSA-N -1 0 245.253 3.183 20 0 BGADRM O=C([O-])N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000832228844 587651560 /nfs/dbraw/zinc/65/15/60/587651560.db2.gz SVDBKYNUVOTXDO-LLVKDONJSA-N -1 0 247.294 3.091 20 0 BGADRM O=C([O-])N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000832228845 587651883 /nfs/dbraw/zinc/65/18/83/587651883.db2.gz SVDBKYNUVOTXDO-NSHDSACASA-N -1 0 247.294 3.091 20 0 BGADRM O=C([N-]OC1CCC1)/C(F)=C\C1CCCCC1 ZINC000832332620 587654440 /nfs/dbraw/zinc/65/44/40/587654440.db2.gz LPHNBNVKIVQPEZ-FMIVXFBMSA-N -1 0 241.306 3.020 20 0 BGADRM O=C([N-]OC1CCC1)/C(F)=C/C1CCCCC1 ZINC000832332626 587654553 /nfs/dbraw/zinc/65/45/53/587654553.db2.gz LPHNBNVKIVQPEZ-XFXZXTDPSA-N -1 0 241.306 3.020 20 0 BGADRM CCCC[C@@](C)(F)C(=O)[N-]OC1CCCCC1 ZINC000832552668 587665875 /nfs/dbraw/zinc/66/58/75/587665875.db2.gz CJLGAKVPCHNKRO-CYBMUJFWSA-N -1 0 245.338 3.285 20 0 BGADRM CCCC[C@](C)(F)C(=O)[N-]OC1CCCCC1 ZINC000832552669 587666114 /nfs/dbraw/zinc/66/61/14/587666114.db2.gz CJLGAKVPCHNKRO-ZDUSSCGKSA-N -1 0 245.338 3.285 20 0 BGADRM COc1ccccc1[C@@H](CC(C)C)NC(=O)[O-] ZINC000832595572 587668463 /nfs/dbraw/zinc/66/84/63/587668463.db2.gz MPDQYZHAZZSCPZ-LLVKDONJSA-N -1 0 237.299 3.050 20 0 BGADRM COc1ccccc1[C@H](CC(C)C)NC(=O)[O-] ZINC000832595573 587668614 /nfs/dbraw/zinc/66/86/14/587668614.db2.gz MPDQYZHAZZSCPZ-NSHDSACASA-N -1 0 237.299 3.050 20 0 BGADRM Cc1ccc(-c2cccc(CNC(=O)[O-])c2)cc1 ZINC000832906221 587695089 /nfs/dbraw/zinc/69/50/89/587695089.db2.gz URADGSAAZQWZGB-UHFFFAOYSA-N -1 0 241.290 3.430 20 0 BGADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)[O-])c1 ZINC000832926506 587694957 /nfs/dbraw/zinc/69/49/57/587694957.db2.gz YRQDCMMOZFQLOR-GFCCVEGCSA-N -1 0 219.284 3.118 20 0 BGADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)[O-])c1 ZINC000832926507 587694824 /nfs/dbraw/zinc/69/48/24/587694824.db2.gz YRQDCMMOZFQLOR-LBPRGKRZSA-N -1 0 219.284 3.118 20 0 BGADRM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)[O-])cc1 ZINC000832928630 587694968 /nfs/dbraw/zinc/69/49/68/587694968.db2.gz FVLKEIYGHVMLOX-CHWSQXEVSA-N -1 0 233.311 3.241 20 0 BGADRM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)[O-])cc1 ZINC000832928632 587694992 /nfs/dbraw/zinc/69/49/92/587694992.db2.gz FVLKEIYGHVMLOX-OLZOCXBDSA-N -1 0 233.311 3.241 20 0 BGADRM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[O-])cc1 ZINC000832928634 587694882 /nfs/dbraw/zinc/69/48/82/587694882.db2.gz FVLKEIYGHVMLOX-QWHCGFSZSA-N -1 0 233.311 3.241 20 0 BGADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[O-])cc1 ZINC000832928635 587694993 /nfs/dbraw/zinc/69/49/93/587694993.db2.gz FVLKEIYGHVMLOX-STQMWFEESA-N -1 0 233.311 3.241 20 0 BGADRM Cc1ccc(NCCC(F)(F)F)cc1C(=O)[O-] ZINC000832951587 587695470 /nfs/dbraw/zinc/69/54/70/587695470.db2.gz JBKHJSDYJISYGJ-UHFFFAOYSA-N -1 0 247.216 3.058 20 0 BGADRM Cc1ccc2ccccc2c1CSCC(=O)[O-] ZINC000832961049 587695931 /nfs/dbraw/zinc/69/59/31/587695931.db2.gz ZNEOHIHZUVFKDH-UHFFFAOYSA-N -1 0 246.331 3.466 20 0 BGADRM Cc1cccc([C@@H](NC(=O)[O-])C(C)(C)C)c1 ZINC000832964580 587695995 /nfs/dbraw/zinc/69/59/95/587695995.db2.gz JVLZMZQHCSFBND-LLVKDONJSA-N -1 0 221.300 3.350 20 0 BGADRM Cc1cccc([C@H](NC(=O)[O-])C(C)(C)C)c1 ZINC000832964581 587695918 /nfs/dbraw/zinc/69/59/18/587695918.db2.gz JVLZMZQHCSFBND-NSHDSACASA-N -1 0 221.300 3.350 20 0 BGADRM Cc1ccccc1[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000832977829 587695707 /nfs/dbraw/zinc/69/57/07/587695707.db2.gz ZCSLJEKZMXRNPI-NXEZZACHSA-N -1 0 224.325 3.262 20 0 BGADRM Cc1ccccc1[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000832977836 587695713 /nfs/dbraw/zinc/69/57/13/587695713.db2.gz ZCSLJEKZMXRNPI-UWVGGRQHSA-N -1 0 224.325 3.262 20 0 BGADRM Cc1ccccc1[C@H](C)S[C@H](C)C(=O)[O-] ZINC000832977837 587696058 /nfs/dbraw/zinc/69/60/58/587696058.db2.gz ZCSLJEKZMXRNPI-VHSXEESVSA-N -1 0 224.325 3.262 20 0 BGADRM Cc1ccccc1[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000832977839 587695889 /nfs/dbraw/zinc/69/58/89/587695889.db2.gz ZCSLJEKZMXRNPI-ZJUUUORDSA-N -1 0 224.325 3.262 20 0 BGADRM Cc1ccccc1CCCS[C@H](C)C(=O)[O-] ZINC000832981063 587696560 /nfs/dbraw/zinc/69/65/60/587696560.db2.gz WSJKOPKVPASHGW-LLVKDONJSA-N -1 0 238.352 3.134 20 0 BGADRM Cc1ccccc1CCCS[C@@H](C)C(=O)[O-] ZINC000832981064 587696480 /nfs/dbraw/zinc/69/64/80/587696480.db2.gz WSJKOPKVPASHGW-NSHDSACASA-N -1 0 238.352 3.134 20 0 BGADRM Cc1ccccc1[C@@H](NC(=O)[O-])C(C)(C)C ZINC000832981921 587696532 /nfs/dbraw/zinc/69/65/32/587696532.db2.gz OLIQOUCWTKIAKK-LLVKDONJSA-N -1 0 221.300 3.350 20 0 BGADRM Cc1ccccc1[C@H](NC(=O)[O-])C(C)(C)C ZINC000832981922 587696315 /nfs/dbraw/zinc/69/63/15/587696315.db2.gz OLIQOUCWTKIAKK-NSHDSACASA-N -1 0 221.300 3.350 20 0 BGADRM Cc1ccoc1CNc1cccc(NC(=O)[O-])c1 ZINC000832984969 587696376 /nfs/dbraw/zinc/69/63/76/587696376.db2.gz SONYZMUKHNUDFR-UHFFFAOYSA-N -1 0 246.266 3.290 20 0 BGADRM O=C([O-])CNc1ccc2oc3ccccc3c2c1 ZINC000833252850 587703590 /nfs/dbraw/zinc/70/35/90/587703590.db2.gz LNQVXWRQCXODAB-UHFFFAOYSA-N -1 0 241.246 3.083 20 0 BGADRM O=C([O-])N1CCCC2(C1)CCCCCC2 ZINC000833279112 587704128 /nfs/dbraw/zinc/70/41/28/587704128.db2.gz GDDXCAZGINCKEX-UHFFFAOYSA-N -1 0 211.305 3.101 20 0 BGADRM O=C([O-])N1CCC[C@H]1CCCc1ccccc1 ZINC000833279117 587704069 /nfs/dbraw/zinc/70/40/69/587704069.db2.gz GJHFINORSHDWMA-CYBMUJFWSA-N -1 0 233.311 3.152 20 0 BGADRM O=C([O-])N1CCC[C@@H]1CCCc1ccccc1 ZINC000833279118 587703912 /nfs/dbraw/zinc/70/39/12/587703912.db2.gz GJHFINORSHDWMA-ZDUSSCGKSA-N -1 0 233.311 3.152 20 0 BGADRM O=C([O-])N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000833279123 587703898 /nfs/dbraw/zinc/70/38/98/587703898.db2.gz GTIWAFPQHYLAEM-LLVKDONJSA-N -1 0 241.237 3.170 20 0 BGADRM O=C([O-])N1CCCC[C@H]1c1ccc(F)cc1F ZINC000833279125 587703877 /nfs/dbraw/zinc/70/38/77/587703877.db2.gz GTIWAFPQHYLAEM-NSHDSACASA-N -1 0 241.237 3.170 20 0 BGADRM O=C([O-])N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000833279204 587704141 /nfs/dbraw/zinc/70/41/41/587704141.db2.gz KWZGNXKCPAYPDB-HNNXBMFYSA-N -1 0 245.322 3.035 20 0 BGADRM O=C([O-])N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000833279220 587704273 /nfs/dbraw/zinc/70/42/73/587704273.db2.gz KWZGNXKCPAYPDB-OAHLLOKOSA-N -1 0 245.322 3.035 20 0 BGADRM O=C([O-])N1CCC[C@@H]1CCC1CCCC1 ZINC000833279373 587704190 /nfs/dbraw/zinc/70/41/90/587704190.db2.gz VCYHFZPIWYKKCO-LLVKDONJSA-N -1 0 211.305 3.099 20 0 BGADRM O=C([O-])N1CCC[C@H]1CCC1CCCC1 ZINC000833279375 587703871 /nfs/dbraw/zinc/70/38/71/587703871.db2.gz VCYHFZPIWYKKCO-NSHDSACASA-N -1 0 211.305 3.099 20 0 BGADRM O=C([O-])N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000833279616 587704336 /nfs/dbraw/zinc/70/43/36/587704336.db2.gz DVZRCNYXEQKJPZ-UHFFFAOYSA-N -1 0 246.093 3.030 20 0 BGADRM O=C([O-])N1CCc2cc(-c3ccccc3)ccc21 ZINC000833279694 587704343 /nfs/dbraw/zinc/70/43/43/587704343.db2.gz OCIZDXIIJZTBFQ-UHFFFAOYSA-N -1 0 239.274 3.394 20 0 BGADRM O=C([O-])N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000833279717 587704185 /nfs/dbraw/zinc/70/41/85/587704185.db2.gz PVJUUSWTPTXSEF-UHFFFAOYSA-N -1 0 246.093 3.030 20 0 BGADRM O=C([O-])N[C@@H](c1ccccc1F)C1CCCC1 ZINC000833279769 587704223 /nfs/dbraw/zinc/70/42/23/587704223.db2.gz WSMGVIPWAVORDK-GFCCVEGCSA-N -1 0 237.274 3.325 20 0 BGADRM O=C([O-])N[C@H](c1ccccc1F)C1CCCC1 ZINC000833279770 587704010 /nfs/dbraw/zinc/70/40/10/587704010.db2.gz WSMGVIPWAVORDK-LBPRGKRZSA-N -1 0 237.274 3.325 20 0 BGADRM O=C([O-])NC1(c2c(Cl)cccc2Cl)CC1 ZINC000833279777 587704294 /nfs/dbraw/zinc/70/42/94/587704294.db2.gz XXZNZXAIQHQQKE-UHFFFAOYSA-N -1 0 246.093 3.250 20 0 BGADRM O=C([O-])NC1(c2cccc(Cl)c2)CCCC1 ZINC000833279782 587704247 /nfs/dbraw/zinc/70/42/47/587704247.db2.gz ZVCDKLUVGRTPGX-UHFFFAOYSA-N -1 0 239.702 3.377 20 0 BGADRM O=C([O-])NCCCc1ccc(Cl)cc1Cl ZINC000833280250 587704914 /nfs/dbraw/zinc/70/49/14/587704914.db2.gz DKOKOEHMXAQUPA-UHFFFAOYSA-N -1 0 248.109 3.194 20 0 BGADRM O=C([O-])NCCc1cccc(-c2ccccc2)c1 ZINC000833280549 587704604 /nfs/dbraw/zinc/70/46/04/587704604.db2.gz JNAZYGJSTLDWGC-UHFFFAOYSA-N -1 0 241.290 3.164 20 0 BGADRM O=C([O-])Nc1cc(NC/C=C/Cl)ccc1F ZINC000833282157 587704824 /nfs/dbraw/zinc/70/48/24/587704824.db2.gz DMLRIFZHTSEAHK-DAFODLJHSA-N -1 0 244.653 3.080 20 0 BGADRM O=C([O-])Nc1cc(NC/C=C\Cl)ccc1F ZINC000833282158 587704676 /nfs/dbraw/zinc/70/46/76/587704676.db2.gz DMLRIFZHTSEAHK-RJRFIUFISA-N -1 0 244.653 3.080 20 0 BGADRM O=C([O-])Nc1ccccc1OCC1CCCC1 ZINC000833287963 587704839 /nfs/dbraw/zinc/70/48/39/587704839.db2.gz PRKNQEMJWUDCTH-UHFFFAOYSA-N -1 0 235.283 3.346 20 0 BGADRM O=C([O-])Nc1ccc(OCC2CCCC2)cc1 ZINC000833289082 587704800 /nfs/dbraw/zinc/70/48/00/587704800.db2.gz FMKVLDFEJWMXJD-UHFFFAOYSA-N -1 0 235.283 3.346 20 0 BGADRM O=C([O-])Nc1cccc(NCC2CCCC2)c1 ZINC000833289350 587704829 /nfs/dbraw/zinc/70/48/29/587704829.db2.gz MPABDPGRHMMIBD-UHFFFAOYSA-N -1 0 234.299 3.379 20 0 BGADRM O=C([O-])Nc1cccc(OCC2CCCC2)c1 ZINC000833290735 587704760 /nfs/dbraw/zinc/70/47/60/587704760.db2.gz ZPFAJJRNEVINDZ-UHFFFAOYSA-N -1 0 235.283 3.346 20 0 BGADRM O=C([O-])c1cc(Cl)cc(NC/C=C/Cl)c1 ZINC000833298271 587705141 /nfs/dbraw/zinc/70/51/41/587705141.db2.gz WQQWSZKRJQFFOU-OWOJBTEDSA-N -1 0 246.093 3.203 20 0 BGADRM O=C([O-])c1cc(Cl)cc(NC/C=C\Cl)c1 ZINC000833298282 587705123 /nfs/dbraw/zinc/70/51/23/587705123.db2.gz WQQWSZKRJQFFOU-UPHRSURJSA-N -1 0 246.093 3.203 20 0 BGADRM O=C([O-])c1cc(NC/C=C/Cl)ccc1Cl ZINC000833300144 587705549 /nfs/dbraw/zinc/70/55/49/587705549.db2.gz MEUYQZGVNAITRN-DAFODLJHSA-N -1 0 246.093 3.203 20 0 BGADRM O=C([O-])c1cc(NC/C=C\Cl)ccc1Cl ZINC000833300146 587705110 /nfs/dbraw/zinc/70/51/10/587705110.db2.gz MEUYQZGVNAITRN-RJRFIUFISA-N -1 0 246.093 3.203 20 0 BGADRM O=C([O-])c1ccc(CSCC2CC2)s1 ZINC000833316648 587705788 /nfs/dbraw/zinc/70/57/88/587705788.db2.gz IICPDVWQWWCLFI-UHFFFAOYSA-N -1 0 228.338 3.090 20 0 BGADRM O=C([O-])c1ccc(CSCC2CC2)cc1F ZINC000833316909 587705969 /nfs/dbraw/zinc/70/59/69/587705969.db2.gz LOLPNQNAHYVCNW-UHFFFAOYSA-N -1 0 240.299 3.167 20 0 BGADRM O=C([O-])c1ccc(CSCC2CCC2)s1 ZINC000833317000 587705913 /nfs/dbraw/zinc/70/59/13/587705913.db2.gz NERGQMCWEWXAQG-UHFFFAOYSA-N -1 0 242.365 3.480 20 0 BGADRM O=C([O-])c1ccc(CSCC2CCC2)cc1 ZINC000833317018 587705900 /nfs/dbraw/zinc/70/59/00/587705900.db2.gz NHFCXIFQKXMCNE-UHFFFAOYSA-N -1 0 236.336 3.418 20 0 BGADRM O=C([O-])c1ccc(CSCCCF)s1 ZINC000833317345 587706011 /nfs/dbraw/zinc/70/60/11/587706011.db2.gz QSZAVPOZQNSLKZ-UHFFFAOYSA-N -1 0 234.317 3.039 20 0 BGADRM O=C([O-])c1ccc(CSCC2CC2)cc1 ZINC000833317425 587706021 /nfs/dbraw/zinc/70/60/21/587706021.db2.gz VDJBUDYWQLEJRU-UHFFFAOYSA-N -1 0 222.309 3.028 20 0 BGADRM O=C([O-])c1ccc(CSCCCF)cc1F ZINC000833317660 587705822 /nfs/dbraw/zinc/70/58/22/587705822.db2.gz YBPSZXLIZBXSBP-UHFFFAOYSA-N -1 0 246.278 3.117 20 0 BGADRM O=C([O-])c1ccc(NC/C(Cl)=C\Cl)cc1 ZINC000833320176 587705911 /nfs/dbraw/zinc/70/59/11/587705911.db2.gz JQUVPWDQPYQNDQ-VMPITWQZSA-N -1 0 246.093 3.116 20 0 BGADRM O=C([O-])c1ccc(NC/C(Cl)=C/Cl)cc1 ZINC000833320177 587705894 /nfs/dbraw/zinc/70/58/94/587705894.db2.gz JQUVPWDQPYQNDQ-YVMONPNESA-N -1 0 246.093 3.116 20 0 BGADRM O=C([O-])c1ccc2nc(SCC3CC3)oc2c1 ZINC000833326558 587706374 /nfs/dbraw/zinc/70/63/74/587706374.db2.gz SEPWOMUCCZVXCM-UHFFFAOYSA-N -1 0 249.291 3.028 20 0 BGADRM O=C([O-])c1cccc(CSCC2CC2)c1 ZINC000833329135 587706493 /nfs/dbraw/zinc/70/64/93/587706493.db2.gz CVJAEVCKFWEYLL-UHFFFAOYSA-N -1 0 222.309 3.028 20 0 BGADRM O=C([O-])c1cccc(CSCC2CCC2)c1 ZINC000833329968 587706403 /nfs/dbraw/zinc/70/64/03/587706403.db2.gz XIIBBCYIKQXXEW-UHFFFAOYSA-N -1 0 236.336 3.418 20 0 BGADRM O=C([O-])c1cccc(NC/C(Cl)=C\Cl)c1 ZINC000833331370 587706266 /nfs/dbraw/zinc/70/62/66/587706266.db2.gz FCIYWRZYPWOAMY-VMPITWQZSA-N -1 0 246.093 3.116 20 0 BGADRM O=C([O-])c1cccc(NC/C(Cl)=C/Cl)c1 ZINC000833331371 587706264 /nfs/dbraw/zinc/70/62/64/587706264.db2.gz FCIYWRZYPWOAMY-YVMONPNESA-N -1 0 246.093 3.116 20 0 BGADRM O=C([O-])c1ccccc1NC/C(Cl)=C/Cl ZINC000833334282 587706247 /nfs/dbraw/zinc/70/62/47/587706247.db2.gz ASEQEYCGXSMNOI-ALCCZGGFSA-N -1 0 246.093 3.116 20 0 BGADRM O=C([O-])c1ccccc1NC/C(Cl)=C\Cl ZINC000833334284 587706429 /nfs/dbraw/zinc/70/64/29/587706429.db2.gz ASEQEYCGXSMNOI-FNORWQNLSA-N -1 0 246.093 3.116 20 0 BGADRM C/C(=C/CSCCCC(C)C)C(=O)[O-] ZINC000833381954 587711859 /nfs/dbraw/zinc/71/18/59/587711859.db2.gz BCXZXVQXRVZUQC-POHAHGRESA-N -1 0 216.346 3.187 20 0 BGADRM C/C(=C\CSCCCC(C)C)C(=O)[O-] ZINC000833381957 587711707 /nfs/dbraw/zinc/71/17/07/587711707.db2.gz BCXZXVQXRVZUQC-UXBLZVDNSA-N -1 0 216.346 3.187 20 0 BGADRM CC(C)(C(=O)[O-])c1ccc(NCC2CCC2)cc1 ZINC000833419333 587713856 /nfs/dbraw/zinc/71/38/56/587713856.db2.gz RCOIMXXBVWJXMV-UHFFFAOYSA-N -1 0 247.338 3.261 20 0 BGADRM CC(C)(C)C[C@@H](Sc1ccccn1)C(=O)[O-] ZINC000833428899 587714276 /nfs/dbraw/zinc/71/42/76/587714276.db2.gz BUJHGZMNRDZZQF-SECBINFHSA-N -1 0 239.340 3.063 20 0 BGADRM CC(C)(C)C[C@H](Sc1ccccn1)C(=O)[O-] ZINC000833428900 587714460 /nfs/dbraw/zinc/71/44/60/587714460.db2.gz BUJHGZMNRDZZQF-VIFPVBQESA-N -1 0 239.340 3.063 20 0 BGADRM CC(C)(C)C[C@H](Sc1ccncc1)C(=O)[O-] ZINC000833429041 587714384 /nfs/dbraw/zinc/71/43/84/587714384.db2.gz GFFZQBNFGZZRGC-JTQLQIEISA-N -1 0 239.340 3.063 20 0 BGADRM CC(C)(C)C[C@@H](Sc1ccncc1)C(=O)[O-] ZINC000833429042 587714438 /nfs/dbraw/zinc/71/44/38/587714438.db2.gz GFFZQBNFGZZRGC-SNVBAGLBSA-N -1 0 239.340 3.063 20 0 BGADRM CC(C)(C)CNc1ccc(CCC(=O)[O-])cc1 ZINC000833429976 587715035 /nfs/dbraw/zinc/71/50/35/587715035.db2.gz BYKYBVDWHIOSGA-UHFFFAOYSA-N -1 0 235.327 3.162 20 0 BGADRM CC(C)(C)c1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000833448945 587714992 /nfs/dbraw/zinc/71/49/92/587714992.db2.gz CHBDUJPWVAHOSM-UHFFFAOYSA-N -1 0 233.311 3.020 20 0 BGADRM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)[O-] ZINC000833449060 587714729 /nfs/dbraw/zinc/71/47/29/587714729.db2.gz FZIRCQBUVJVYSD-UHFFFAOYSA-N -1 0 233.311 3.415 20 0 BGADRM CC(C)(C)c1ccc(C(C)(C)NC(=O)[O-])cc1 ZINC000833450378 587715015 /nfs/dbraw/zinc/71/50/15/587715015.db2.gz QUHWKNDNPDWVOB-UHFFFAOYSA-N -1 0 235.327 3.487 20 0 BGADRM CC(C)[C@@H](C)Nc1cccc(NC(=O)[O-])c1 ZINC000833469106 587716371 /nfs/dbraw/zinc/71/63/71/587716371.db2.gz QJMNPKZTBQMLKW-SECBINFHSA-N -1 0 222.288 3.233 20 0 BGADRM CC(C)[C@H](C)Nc1cccc(NC(=O)[O-])c1 ZINC000833469107 587716266 /nfs/dbraw/zinc/71/62/66/587716266.db2.gz QJMNPKZTBQMLKW-VIFPVBQESA-N -1 0 222.288 3.233 20 0 BGADRM CC(C)[C@@H](C)Nc1ccc(NC(=O)[O-])cc1 ZINC000833469345 587716387 /nfs/dbraw/zinc/71/63/87/587716387.db2.gz VPFKLAYROCTYIW-SECBINFHSA-N -1 0 222.288 3.233 20 0 BGADRM CC(C)[C@H](C)Nc1ccc(NC(=O)[O-])cc1 ZINC000833469346 587716401 /nfs/dbraw/zinc/71/64/01/587716401.db2.gz VPFKLAYROCTYIW-VIFPVBQESA-N -1 0 222.288 3.233 20 0 BGADRM CC(C)CCCS[C@H](C(=O)[O-])C1CC1 ZINC000833481487 587716714 /nfs/dbraw/zinc/71/67/14/587716714.db2.gz VVBOYCDTMWBDAI-JTQLQIEISA-N -1 0 216.346 3.019 20 0 BGADRM CC(C)CCCS[C@@H](C(=O)[O-])C1CC1 ZINC000833481489 587716670 /nfs/dbraw/zinc/71/66/70/587716670.db2.gz VVBOYCDTMWBDAI-SNVBAGLBSA-N -1 0 216.346 3.019 20 0 BGADRM CC(C)CS[C@H](CC(C)(C)C)C(=O)[O-] ZINC000833491783 587717842 /nfs/dbraw/zinc/71/78/42/587717842.db2.gz FKPYKPXGLQWPEN-SECBINFHSA-N -1 0 218.362 3.265 20 0 BGADRM CC(C)CS[C@@H](CC(C)(C)C)C(=O)[O-] ZINC000833491784 587717946 /nfs/dbraw/zinc/71/79/46/587717946.db2.gz FKPYKPXGLQWPEN-VIFPVBQESA-N -1 0 218.362 3.265 20 0 BGADRM C[C@@H](Nc1cccc(NC(=O)[O-])c1)C1CCC1 ZINC000833524934 587718880 /nfs/dbraw/zinc/71/88/80/587718880.db2.gz LDHDQMWPGWIJRI-SECBINFHSA-N -1 0 234.299 3.377 20 0 BGADRM C[C@H](Nc1cccc(NC(=O)[O-])c1)C1CCC1 ZINC000833524936 587718533 /nfs/dbraw/zinc/71/85/33/587718533.db2.gz LDHDQMWPGWIJRI-VIFPVBQESA-N -1 0 234.299 3.377 20 0 BGADRM C[C@@H](Nc1ccc(NC(=O)[O-])cc1)C1CCC1 ZINC000833525170 587718613 /nfs/dbraw/zinc/71/86/13/587718613.db2.gz NFELUTCAXWSDDY-SECBINFHSA-N -1 0 234.299 3.377 20 0 BGADRM C[C@H](Nc1ccc(NC(=O)[O-])cc1)C1CCC1 ZINC000833525171 587718597 /nfs/dbraw/zinc/71/85/97/587718597.db2.gz NFELUTCAXWSDDY-VIFPVBQESA-N -1 0 234.299 3.377 20 0 BGADRM C[C@H](Nc1ccc(CNC(=O)[O-])cc1)C1CCC1 ZINC000833527365 587718685 /nfs/dbraw/zinc/71/86/85/587718685.db2.gz YJKGHMOALOBGKW-JTQLQIEISA-N -1 0 248.326 3.055 20 0 BGADRM C[C@@H](Nc1ccc(CNC(=O)[O-])cc1)C1CCC1 ZINC000833527366 587718725 /nfs/dbraw/zinc/71/87/25/587718725.db2.gz YJKGHMOALOBGKW-SNVBAGLBSA-N -1 0 248.326 3.055 20 0 BGADRM C[C@@H](S[C@@H](C(=O)[O-])C1CC1)c1cccs1 ZINC000833543349 587719197 /nfs/dbraw/zinc/71/91/97/587719197.db2.gz RMIJHUKOZOGBKI-GMSGAONNSA-N -1 0 242.365 3.406 20 0 BGADRM C[C@H](S[C@@H](C(=O)[O-])C1CC1)c1cccs1 ZINC000833543351 587718995 /nfs/dbraw/zinc/71/89/95/587718995.db2.gz RMIJHUKOZOGBKI-OIBJUYFYSA-N -1 0 242.365 3.406 20 0 BGADRM C[C@@H](S[C@H](C(=O)[O-])C1CC1)c1cccs1 ZINC000833543352 587719240 /nfs/dbraw/zinc/71/92/40/587719240.db2.gz RMIJHUKOZOGBKI-XCBNKYQSSA-N -1 0 242.365 3.406 20 0 BGADRM C[C@H](S[C@H](C(=O)[O-])C1CC1)c1cccs1 ZINC000833543354 587719302 /nfs/dbraw/zinc/71/93/02/587719302.db2.gz RMIJHUKOZOGBKI-XVKPBYJWSA-N -1 0 242.365 3.406 20 0 BGADRM CC1(C)CC(C)(C)c2cc(NCC(=O)[O-])ccc21 ZINC000833556435 587720263 /nfs/dbraw/zinc/72/02/63/587720263.db2.gz WVEHJVFTZOXBBH-UHFFFAOYSA-N -1 0 247.338 3.142 20 0 BGADRM CC1(C)CC[C@@H](CNC(=O)[O-])c2ccccc21 ZINC000833556461 587720075 /nfs/dbraw/zinc/72/00/75/587720075.db2.gz AEUXBVWSJRJILT-JTQLQIEISA-N -1 0 233.311 3.109 20 0 BGADRM CC1(C)CC[C@H](CNC(=O)[O-])c2ccccc21 ZINC000833556463 587719576 /nfs/dbraw/zinc/71/95/76/587719576.db2.gz AEUXBVWSJRJILT-SNVBAGLBSA-N -1 0 233.311 3.109 20 0 BGADRM CC1(C)CCCN(C(=O)[O-])c2ccccc21 ZINC000833561342 587720284 /nfs/dbraw/zinc/72/02/84/587720284.db2.gz YYGYRDQFLFZCSA-UHFFFAOYSA-N -1 0 219.284 3.242 20 0 BGADRM C[C@@H]1CC[C@@H](Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000833608264 587723960 /nfs/dbraw/zinc/72/39/60/587723960.db2.gz ADQCXQCEKLYHOK-BXKDBHETSA-N -1 0 234.299 3.377 20 0 BGADRM C[C@H]1CC[C@H](Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000833608265 587723709 /nfs/dbraw/zinc/72/37/09/587723709.db2.gz ADQCXQCEKLYHOK-CABZTGNLSA-N -1 0 234.299 3.377 20 0 BGADRM C[C@H]1CC[C@@H](Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000833608266 587723625 /nfs/dbraw/zinc/72/36/25/587723625.db2.gz ADQCXQCEKLYHOK-JOYOIKCWSA-N -1 0 234.299 3.377 20 0 BGADRM C[C@@H]1CC[C@H](Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000833608267 587723636 /nfs/dbraw/zinc/72/36/36/587723636.db2.gz ADQCXQCEKLYHOK-SKDRFNHKSA-N -1 0 234.299 3.377 20 0 BGADRM C[C@@H]1CC[C@@H](Nc2cccc(NC(=O)[O-])c2)C1 ZINC000833610253 587724145 /nfs/dbraw/zinc/72/41/45/587724145.db2.gz KARJPKBUGFPHST-BXKDBHETSA-N -1 0 234.299 3.377 20 0 BGADRM C[C@H]1CC[C@H](Nc2cccc(NC(=O)[O-])c2)C1 ZINC000833610254 587724454 /nfs/dbraw/zinc/72/44/54/587724454.db2.gz KARJPKBUGFPHST-CABZTGNLSA-N -1 0 234.299 3.377 20 0 BGADRM C[C@H]1CC[C@@H](Nc2cccc(NC(=O)[O-])c2)C1 ZINC000833610255 587724436 /nfs/dbraw/zinc/72/44/36/587724436.db2.gz KARJPKBUGFPHST-JOYOIKCWSA-N -1 0 234.299 3.377 20 0 BGADRM C[C@@H]1CC[C@H](Nc2cccc(NC(=O)[O-])c2)C1 ZINC000833610256 587724511 /nfs/dbraw/zinc/72/45/11/587724511.db2.gz KARJPKBUGFPHST-SKDRFNHKSA-N -1 0 234.299 3.377 20 0 BGADRM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccccc1C(=O)[O-] ZINC000833637362 587725547 /nfs/dbraw/zinc/72/55/47/587725547.db2.gz DHOQZPHXTOOHQC-NXEZZACHSA-N -1 0 249.310 3.006 20 0 BGADRM CC[C@H](C)[C@H](C)C(=O)Nc1ccccc1C(=O)[O-] ZINC000833637363 587725683 /nfs/dbraw/zinc/72/56/83/587725683.db2.gz DHOQZPHXTOOHQC-UWVGGRQHSA-N -1 0 249.310 3.006 20 0 BGADRM CC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1C(=O)[O-] ZINC000833637364 587725755 /nfs/dbraw/zinc/72/57/55/587725755.db2.gz DHOQZPHXTOOHQC-VHSXEESVSA-N -1 0 249.310 3.006 20 0 BGADRM CC[C@@H](C)[C@H](C)C(=O)Nc1ccccc1C(=O)[O-] ZINC000833637365 584912883 /nfs/dbraw/zinc/91/28/83/584912883.db2.gz DHOQZPHXTOOHQC-ZJUUUORDSA-N -1 0 249.310 3.006 20 0 BGADRM O=C([O-])NCC1(Cc2ccccc2)CCCC1 ZINC000833777378 587731297 /nfs/dbraw/zinc/73/12/97/587731297.db2.gz OXLFEONWNVROQH-UHFFFAOYSA-N -1 0 233.311 3.057 20 0 BGADRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[O-] ZINC000833913275 606069068 /nfs/dbraw/zinc/06/90/68/606069068.db2.gz XMRCFWMBPCGDMJ-MRVPVSSYSA-N -1 0 242.344 3.246 20 0 BGADRM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[O-] ZINC000833913276 606069171 /nfs/dbraw/zinc/06/91/71/606069171.db2.gz XMRCFWMBPCGDMJ-QMMMGPOBSA-N -1 0 242.344 3.246 20 0 BGADRM O=C([O-])N1CCc2cc(NC3CCCC3)ccc21 ZINC000834122685 587746458 /nfs/dbraw/zinc/74/64/58/587746458.db2.gz KCUMFMLLTWEYRB-UHFFFAOYSA-N -1 0 246.310 3.082 20 0 BGADRM O=C([O-])N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000834162807 605404347 /nfs/dbraw/zinc/40/43/47/605404347.db2.gz HTKKYGNZBBCEQC-GFCCVEGCSA-N -1 0 235.258 3.029 20 0 BGADRM O=C([O-])N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000834162808 605404055 /nfs/dbraw/zinc/40/40/55/605404055.db2.gz HTKKYGNZBBCEQC-LBPRGKRZSA-N -1 0 235.258 3.029 20 0 BGADRM O=C([O-])Nc1ccc(F)c(NCC2CCC2)c1 ZINC000834261026 587750262 /nfs/dbraw/zinc/75/02/62/587750262.db2.gz GTZKIFRMXPLKDG-UHFFFAOYSA-N -1 0 238.262 3.128 20 0 BGADRM O=C([O-])Nc1cccc(CSCCCF)c1 ZINC000834269876 587750361 /nfs/dbraw/zinc/75/03/61/587750361.db2.gz VCRIZKNZSDKIHX-UHFFFAOYSA-N -1 0 243.303 3.369 20 0 BGADRM Cc1cc(C)c(NC(=O)NOC2CCC2)c(C)c1 ZINC000836186045 587828162 /nfs/dbraw/zinc/82/81/62/587828162.db2.gz KJILOWHGCXZMOR-UHFFFAOYSA-N -1 0 248.326 3.217 20 0 BGADRM CCc1cccc(C)c1NC(=O)NOC1CCC1 ZINC000836188192 587828253 /nfs/dbraw/zinc/82/82/53/587828253.db2.gz PZBWVOBAHHQVFZ-UHFFFAOYSA-N -1 0 248.326 3.163 20 0 BGADRM CC(C)c1ccc(NC(=O)NOC2CCC2)cc1 ZINC000836192129 587828154 /nfs/dbraw/zinc/82/81/54/587828154.db2.gz SQIMMNWLFXPEMI-UHFFFAOYSA-N -1 0 248.326 3.416 20 0 BGADRM CCC(CC)(C(=O)[N-]OC(C)C)c1ccccc1 ZINC000836799907 587837363 /nfs/dbraw/zinc/83/73/63/587837363.db2.gz YVGZVMDTEKEDRD-UHFFFAOYSA-N -1 0 249.354 3.201 20 0 BGADRM CCCO[N-]C(=O)C(CC)(CC)c1ccccc1 ZINC000844085551 582569612 /nfs/dbraw/zinc/56/96/12/582569612.db2.gz QGPLBMJVGCKWLV-UHFFFAOYSA-N -1 0 249.354 3.202 20 0 BGADRM CCCO[N-]C(=O)[C@@H](c1ccccc1)[C@@H](C)CC ZINC000844086008 588163952 /nfs/dbraw/zinc/16/39/52/588163952.db2.gz IOTRKFUCFWRLNA-GXTWGEPZSA-N -1 0 249.354 3.274 20 0 BGADRM CCCO[N-]C(=O)[C@H](c1ccccc1)[C@@H](C)CC ZINC000844086009 588163741 /nfs/dbraw/zinc/16/37/41/588163741.db2.gz IOTRKFUCFWRLNA-JSGCOSHPSA-N -1 0 249.354 3.274 20 0 BGADRM CCCO[N-]C(=O)[C@H](c1ccccc1)[C@H](C)CC ZINC000844086010 588163666 /nfs/dbraw/zinc/16/36/66/588163666.db2.gz IOTRKFUCFWRLNA-OCCSQVGLSA-N -1 0 249.354 3.274 20 0 BGADRM CCCO[N-]C(=O)[C@@H](c1ccccc1)[C@H](C)CC ZINC000844086011 588164133 /nfs/dbraw/zinc/16/41/33/588164133.db2.gz IOTRKFUCFWRLNA-TZMCWYRMSA-N -1 0 249.354 3.274 20 0 BGADRM CCCONC(=O)CCCC[C@H](C)CC ZINC000844087638 643383159 /nfs/dbraw/zinc/38/31/59/643383159.db2.gz AIBMFQTUIBSEMB-LLVKDONJSA-N -1 0 215.337 3.051 20 0 BGADRM CCCONC(=O)CCCC[C@@H](C)CC ZINC000844087639 643383800 /nfs/dbraw/zinc/38/38/00/643383800.db2.gz AIBMFQTUIBSEMB-NSHDSACASA-N -1 0 215.337 3.051 20 0 BGADRM C[C@H](O)c1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000844203441 588173803 /nfs/dbraw/zinc/17/38/03/588173803.db2.gz CHDDLGMRUGZEPR-JTQLQIEISA-N -1 0 242.274 3.105 20 0 BGADRM C[C@@H](O)c1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000844203442 588173616 /nfs/dbraw/zinc/17/36/16/588173616.db2.gz CHDDLGMRUGZEPR-SNVBAGLBSA-N -1 0 242.274 3.105 20 0 BGADRM C[C@H](O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000844204557 588173793 /nfs/dbraw/zinc/17/37/93/588173793.db2.gz JZRLFELWEJYSNF-JTQLQIEISA-N -1 0 242.274 3.105 20 0 BGADRM C[C@@H](O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000844204559 588174022 /nfs/dbraw/zinc/17/40/22/588174022.db2.gz JZRLFELWEJYSNF-SNVBAGLBSA-N -1 0 242.274 3.105 20 0 BGADRM Cc1cc(-c2cccc(C(=O)[O-])c2)ccc1C=O ZINC000844205659 588174002 /nfs/dbraw/zinc/17/40/02/588174002.db2.gz QQFGVUFBLLGUDS-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM Cc1sc(SC2CCCC2)nc1C(=O)[O-] ZINC000844205864 588173707 /nfs/dbraw/zinc/17/37/07/588173707.db2.gz QBALUUDEMATWPW-UHFFFAOYSA-N -1 0 243.353 3.184 20 0 BGADRM C[C@H](O)c1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000844206172 588173985 /nfs/dbraw/zinc/17/39/85/588173985.db2.gz XISAQCGSURZCFY-JTQLQIEISA-N -1 0 242.274 3.105 20 0 BGADRM O=C(OC1CCCC1)c1ccc([O-])c(Cl)c1 ZINC000844256432 588177656 /nfs/dbraw/zinc/17/76/56/588177656.db2.gz ZOGQQOPUIAFEBV-UHFFFAOYSA-N -1 0 240.686 3.145 20 0 BGADRM Cc1ccc2c(c1)CCN2CCCCCC(=O)[O-] ZINC000846255169 643654449 /nfs/dbraw/zinc/65/44/49/643654449.db2.gz RBRAOMRVVQORQG-UHFFFAOYSA-N -1 0 247.338 3.003 20 0 BGADRM CC[C@H](NC(=O)C(C)(F)F)c1ccccc1F ZINC000846432217 588266130 /nfs/dbraw/zinc/26/61/30/588266130.db2.gz NVHGDJYCLBWYRW-JTQLQIEISA-N -1 0 245.244 3.048 20 0 BGADRM CC(C)[C@@H](C)O[N-]C(=O)C(C)(C)c1ccccc1 ZINC000853664617 588753939 /nfs/dbraw/zinc/75/39/39/588753939.db2.gz RSAKXSBBYFTYBN-GFCCVEGCSA-N -1 0 249.354 3.057 20 0 BGADRM CC(C)[C@H](C)O[N-]C(=O)C(C)(C)c1ccccc1 ZINC000853664618 588753720 /nfs/dbraw/zinc/75/37/20/588753720.db2.gz RSAKXSBBYFTYBN-LBPRGKRZSA-N -1 0 249.354 3.057 20 0 BGADRM CCCC[C@@](C)(F)C(=O)[N-]Oc1ccccc1 ZINC000854535508 588791113 /nfs/dbraw/zinc/79/11/13/588791113.db2.gz AEQTWKMSZZZHEJ-CYBMUJFWSA-N -1 0 239.290 3.015 20 0 BGADRM CCCC[C@](C)(F)C(=O)[N-]Oc1ccccc1 ZINC000854535509 588790932 /nfs/dbraw/zinc/79/09/32/588790932.db2.gz AEQTWKMSZZZHEJ-ZDUSSCGKSA-N -1 0 239.290 3.015 20 0 BGADRM CCC(CC)(CC)C(=O)[N-]Oc1ccccc1 ZINC000854535966 588791471 /nfs/dbraw/zinc/79/14/71/588791471.db2.gz CBHBPKMWAKGXDT-UHFFFAOYSA-N -1 0 235.327 3.313 20 0 BGADRM CC1(C(=O)[N-]Oc2ccccc2)CCCCC1 ZINC000854536423 583087803 /nfs/dbraw/zinc/08/78/03/583087803.db2.gz INPVSQFXFOYDRV-UHFFFAOYSA-N -1 0 233.311 3.067 20 0 BGADRM CC1=CC[C@](C)(C(=O)[N-]Oc2ccccc2)CC1 ZINC000854536611 588791378 /nfs/dbraw/zinc/79/13/78/588791378.db2.gz RVXUVCWTUUJHGJ-HNNXBMFYSA-N -1 0 245.322 3.233 20 0 BGADRM CC1=CC[C@@](C)(C(=O)[N-]Oc2ccccc2)CC1 ZINC000854536612 588791331 /nfs/dbraw/zinc/79/13/31/588791331.db2.gz RVXUVCWTUUJHGJ-OAHLLOKOSA-N -1 0 245.322 3.233 20 0 BGADRM CC(C)(C)C(C)(C)C(=O)[N-]Oc1ccccc1 ZINC000854536772 588791277 /nfs/dbraw/zinc/79/12/77/588791277.db2.gz VHIRBXYVTIMVCH-UHFFFAOYSA-N -1 0 235.327 3.169 20 0 BGADRM CC(C)CC(C)(C)C(=O)[N-]Oc1ccccc1 ZINC000854537195 588791814 /nfs/dbraw/zinc/79/18/14/588791814.db2.gz PUENXBOCKHSTQU-UHFFFAOYSA-N -1 0 235.327 3.169 20 0 BGADRM CCC1(C(=O)[N-]Oc2ccccc2)CCCCC1 ZINC000854537406 588791592 /nfs/dbraw/zinc/79/15/92/588791592.db2.gz SWTZIPGDIVAFTF-UHFFFAOYSA-N -1 0 247.338 3.457 20 0 BGADRM O=C([N-]Oc1ccccc1)C1(C2CCC2)CCC1 ZINC000854537600 588791689 /nfs/dbraw/zinc/79/16/89/588791689.db2.gz QDSQEWBLFHIXDO-UHFFFAOYSA-N -1 0 245.322 3.067 20 0 BGADRM CCC[C@](C)(CC)C(=O)[N-]Oc1ccccc1 ZINC000854537636 588791644 /nfs/dbraw/zinc/79/16/44/588791644.db2.gz XOFKCCSQJYIRKB-AWEZNQCLSA-N -1 0 235.327 3.313 20 0 BGADRM CCC[C@@](C)(CC)C(=O)[N-]Oc1ccccc1 ZINC000854537637 588791502 /nfs/dbraw/zinc/79/15/02/588791502.db2.gz XOFKCCSQJYIRKB-CQSZACIVSA-N -1 0 235.327 3.313 20 0 BGADRM CCCC1(C(=O)[N-]Oc2ccccc2)CCC1 ZINC000854537650 588791642 /nfs/dbraw/zinc/79/16/42/588791642.db2.gz XYLCLKVKXVUNEU-UHFFFAOYSA-N -1 0 233.311 3.067 20 0 BGADRM Cc1ccc(-c2ccc(C=O)s2)cc1C(=O)[O-] ZINC000857756571 588909928 /nfs/dbraw/zinc/90/99/28/588909928.db2.gz DJYVVDBNXRLEIZ-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM Cc1ccc(C(=O)[O-])cc1-c1ccccc1C=O ZINC000857756644 588909968 /nfs/dbraw/zinc/90/99/68/588909968.db2.gz HFIYLIYEEMTZKQ-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM Cc1ccc(-c2ccc(C=O)cc2)cc1C(=O)[O-] ZINC000857756656 588910025 /nfs/dbraw/zinc/91/00/25/588910025.db2.gz HPLCCGJLBHVEFR-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM Cc1ccc(C(=O)[O-])cc1-c1ccc(C=O)cc1 ZINC000857756865 588909845 /nfs/dbraw/zinc/90/98/45/588909845.db2.gz OXSNICCCPHPNLE-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM O=c1nc(SC2CCCCC2)cc(Cl)[n-]1 ZINC000858310824 588943893 /nfs/dbraw/zinc/94/38/93/588943893.db2.gz YEXFXNQLSDVTBS-UHFFFAOYSA-N -1 0 244.747 3.260 20 0 BGADRM CCC(CC)Sc1cc(Cl)[n-]c(=O)n1 ZINC000858382994 588950110 /nfs/dbraw/zinc/95/01/10/588950110.db2.gz MZQAEVTVMPVBNU-UHFFFAOYSA-N -1 0 232.736 3.116 20 0 BGADRM CCCCCSc1cc(Cl)[n-]c(=O)n1 ZINC000858466345 588957711 /nfs/dbraw/zinc/95/77/11/588957711.db2.gz DAMCIJNJHMWGRH-UHFFFAOYSA-N -1 0 232.736 3.118 20 0 BGADRM CC(C)CCCSc1cc(Cl)[n-]c(=O)n1 ZINC000858468601 588957990 /nfs/dbraw/zinc/95/79/90/588957990.db2.gz JLXPESIUHYFEFR-UHFFFAOYSA-N -1 0 246.763 3.364 20 0 BGADRM CC[C@H](C)CON=c1[n-]c(Cl)cs1 ZINC000858553136 588965248 /nfs/dbraw/zinc/96/52/48/588965248.db2.gz YAWICFIVXGAYMR-LURJTMIESA-N -1 0 220.725 3.186 20 0 BGADRM CC[C@@H](C)CON=c1[n-]c(Cl)cs1 ZINC000858553137 588965034 /nfs/dbraw/zinc/96/50/34/588965034.db2.gz YAWICFIVXGAYMR-ZCFIWIBFSA-N -1 0 220.725 3.186 20 0 BGADRM C[C@@H]1C[C@@H]1CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000859810383 589062979 /nfs/dbraw/zinc/06/29/79/589062979.db2.gz MWNISHJYHQKGEO-GHMZBOCLSA-N -1 0 247.338 3.117 20 0 BGADRM C[C@@H]1C[C@H]1CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000859810384 589062998 /nfs/dbraw/zinc/06/29/98/589062998.db2.gz MWNISHJYHQKGEO-MNOVXSKESA-N -1 0 247.338 3.117 20 0 BGADRM C[C@H]1C[C@H]1CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000859810385 589063052 /nfs/dbraw/zinc/06/30/52/589063052.db2.gz MWNISHJYHQKGEO-QWRGUYRKSA-N -1 0 247.338 3.117 20 0 BGADRM C[C@H]1C[C@@H]1CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000859810386 589063168 /nfs/dbraw/zinc/06/31/68/589063168.db2.gz MWNISHJYHQKGEO-WDEREUQCSA-N -1 0 247.338 3.117 20 0 BGADRM CCC(CC)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000859819600 589063482 /nfs/dbraw/zinc/06/34/82/589063482.db2.gz LKMYZJAEPKVKOP-UHFFFAOYSA-N -1 0 246.310 3.467 20 0 BGADRM CC(C)CCc1cc(=O)n(Cc2ccccc2)[n-]1 ZINC000871939589 589834729 /nfs/dbraw/zinc/83/47/29/589834729.db2.gz DIAWAFQRHOGZHD-UHFFFAOYSA-N -1 0 244.338 3.211 20 0 BGADRM CC1(C)CCc2c([n-]n(-c3ccccc3)c2=O)C1 ZINC000871940389 589835778 /nfs/dbraw/zinc/83/57/78/589835778.db2.gz HYRWMJOVMXTEBR-GFCCVEGCSA-N -1 0 242.322 3.216 20 0 BGADRM CC1(C)CCc2c([n-]n(-c3ccccc3)c2=O)C1 ZINC000871940390 589836122 /nfs/dbraw/zinc/83/61/22/589836122.db2.gz HYRWMJOVMXTEBR-LBPRGKRZSA-N -1 0 242.322 3.216 20 0 BGADRM CC(C)CCc1cc(=O)n(-c2ccc(F)cc2)[nH]1 ZINC000871941301 589836296 /nfs/dbraw/zinc/83/62/96/589836296.db2.gz ZJLKESNLODNROR-UHFFFAOYSA-N -1 0 248.301 3.355 20 0 BGADRM CC(C)CCc1cc(=O)n(-c2ccccc2F)[n-]1 ZINC000871942641 589836153 /nfs/dbraw/zinc/83/61/53/589836153.db2.gz WFIQLSAXEFBYIV-UHFFFAOYSA-N -1 0 248.301 3.355 20 0 BGADRM CC(C)CCc1cc(=O)n(CC(C)(C)C)[n-]1 ZINC000871944133 589837578 /nfs/dbraw/zinc/83/75/78/589837578.db2.gz YQBANBCZSBVESM-UHFFFAOYSA-N -1 0 224.348 3.057 20 0 BGADRM O=c1cc(C2CCCC2)[n-]n1CC1CCCCC1 ZINC000871944634 589837499 /nfs/dbraw/zinc/83/74/99/589837499.db2.gz OTDACLYFRHAUPK-UHFFFAOYSA-N -1 0 248.370 3.345 20 0 BGADRM Cc1cc(Cl)ccc1-n1[n-]c(C2CC2)cc1=O ZINC000871944820 589838774 /nfs/dbraw/zinc/83/87/74/589838774.db2.gz SEEHKTGVRLJGSB-UHFFFAOYSA-N -1 0 248.713 3.151 20 0 BGADRM CC(C)CCc1cc(=O)n(CC2CCCC2)[n-]1 ZINC000871945112 589838587 /nfs/dbraw/zinc/83/85/87/589838587.db2.gz XLEXSCKBHYQGKT-UHFFFAOYSA-N -1 0 236.359 3.201 20 0 BGADRM CC(C)CCc1cc(=O)n(C2CCCCC2)[n-]1 ZINC000871947501 589838322 /nfs/dbraw/zinc/83/83/22/589838322.db2.gz BSTURYWBXOZOMY-UHFFFAOYSA-N -1 0 236.359 3.344 20 0 BGADRM Cc1cc(F)ccc1-n1[n-]c(C2CCC2)cc1=O ZINC000871948530 589839518 /nfs/dbraw/zinc/83/95/18/589839518.db2.gz RLWWGFYDXBVXTJ-UHFFFAOYSA-N -1 0 246.285 3.027 20 0 BGADRM C[C@H]1CCC[C@H](n2[n-]c(C3CCCC3)cc2=O)C1 ZINC000871948816 589839559 /nfs/dbraw/zinc/83/95/59/589839559.db2.gz CYZAAFRTZRKSOU-AAEUAGOBSA-N -1 0 248.370 3.344 20 0 BGADRM C[C@@H]1CCC[C@@H](n2[n-]c(C3CCCC3)cc2=O)C1 ZINC000871948817 589839513 /nfs/dbraw/zinc/83/95/13/589839513.db2.gz CYZAAFRTZRKSOU-DGCLKSJQSA-N -1 0 248.370 3.344 20 0 BGADRM C[C@H]1CCC[C@@H](n2[n-]c(C3CCCC3)cc2=O)C1 ZINC000871948818 589839380 /nfs/dbraw/zinc/83/93/80/589839380.db2.gz CYZAAFRTZRKSOU-WCQYABFASA-N -1 0 248.370 3.344 20 0 BGADRM C[C@@H]1CCC[C@H](n2[n-]c(C3CCCC3)cc2=O)C1 ZINC000871948819 589839687 /nfs/dbraw/zinc/83/96/87/589839687.db2.gz CYZAAFRTZRKSOU-YPMHNXCESA-N -1 0 248.370 3.344 20 0 BGADRM CC1CCC(n2[n-]c(C3CCCC3)cc2=O)CC1 ZINC000871949281 589839742 /nfs/dbraw/zinc/83/97/42/589839742.db2.gz VRMJMSISDSGOLD-UHFFFAOYSA-N -1 0 248.370 3.344 20 0 BGADRM CC(C)(C)CCn1[n-]c(C2CCCC2)cc1=O ZINC000871957268 589843305 /nfs/dbraw/zinc/84/33/05/589843305.db2.gz CBOQTUHMECCFEQ-UHFFFAOYSA-N -1 0 236.359 3.201 20 0 BGADRM CCC(CC)Cn1[n-]c(C2CCCC2)cc1=O ZINC000871957808 589843566 /nfs/dbraw/zinc/84/35/66/589843566.db2.gz MOHVQOFLYNKALP-UHFFFAOYSA-N -1 0 236.359 3.201 20 0 BGADRM CCCCCC[C@@H](C)n1[n-]c(C2CC2)cc1=O ZINC000871958712 589844352 /nfs/dbraw/zinc/84/43/52/589844352.db2.gz FDOOQVPVQFRJRC-LLVKDONJSA-N -1 0 236.359 3.344 20 0 BGADRM CCCCCC[C@H](C)n1[n-]c(C2CC2)cc1=O ZINC000871958714 589844205 /nfs/dbraw/zinc/84/42/05/589844205.db2.gz FDOOQVPVQFRJRC-NSHDSACASA-N -1 0 236.359 3.344 20 0 BGADRM CC1(C)CCC[C@H]1n1[n-]c(C2CCCC2)cc1=O ZINC000871959008 589844384 /nfs/dbraw/zinc/84/43/84/589844384.db2.gz JRSHDBSHKWENCR-CYBMUJFWSA-N -1 0 248.370 3.344 20 0 BGADRM CC1(C)CCC[C@@H]1n1[n-]c(C2CCCC2)cc1=O ZINC000871959009 589844060 /nfs/dbraw/zinc/84/40/60/589844060.db2.gz JRSHDBSHKWENCR-ZDUSSCGKSA-N -1 0 248.370 3.344 20 0 BGADRM CCCCCN1N=C2CC(C)(C)CC[C@H]2C1=O ZINC000871959351 589845393 /nfs/dbraw/zinc/84/53/93/589845393.db2.gz QUQLZJBXGPQEIA-LLVKDONJSA-N -1 0 236.359 3.201 20 0 BGADRM CCCCCN1N=C2CC(C)(C)CC[C@@H]2C1=O ZINC000871959352 589844979 /nfs/dbraw/zinc/84/49/79/589844979.db2.gz QUQLZJBXGPQEIA-NSHDSACASA-N -1 0 236.359 3.201 20 0 BGADRM CCCCCC[C@@H](C)N1N=C2CCC[C@@H]2C1=O ZINC000871959653 589845561 /nfs/dbraw/zinc/84/55/61/589845561.db2.gz OFXCAPRHSCOSJQ-NEPJUHHUSA-N -1 0 236.359 3.344 20 0 BGADRM CCCCCC[C@H](C)N1N=C2CCC[C@H]2C1=O ZINC000871959654 589845597 /nfs/dbraw/zinc/84/55/97/589845597.db2.gz OFXCAPRHSCOSJQ-NWDGAFQWSA-N -1 0 236.359 3.344 20 0 BGADRM CCCCCC[C@H](C)N1N=C2CCC[C@@H]2C1=O ZINC000871959655 589845011 /nfs/dbraw/zinc/84/50/11/589845011.db2.gz OFXCAPRHSCOSJQ-RYUDHWBXSA-N -1 0 236.359 3.344 20 0 BGADRM CCCCCC[C@@H](C)N1N=C2CCC[C@H]2C1=O ZINC000871959656 589845314 /nfs/dbraw/zinc/84/53/14/589845314.db2.gz OFXCAPRHSCOSJQ-VXGBXAGGSA-N -1 0 236.359 3.344 20 0 BGADRM CCC(C)(CC)C(=O)[N-]Oc1ccccc1F ZINC000874910500 590154387 /nfs/dbraw/zinc/15/43/87/590154387.db2.gz SJGJXFKJKWNWMR-UHFFFAOYSA-N -1 0 239.290 3.062 20 0 BGADRM O=C(CC1=CCCCC1)[N-]Oc1ccccc1F ZINC000874910961 590154830 /nfs/dbraw/zinc/15/48/30/590154830.db2.gz DDFKNBKEAYXYMT-UHFFFAOYSA-N -1 0 249.285 3.126 20 0 BGADRM CCCC(C)(C)C(=O)[N-]Oc1ccccc1F ZINC000874911037 590154832 /nfs/dbraw/zinc/15/48/32/590154832.db2.gz LJSUDSQDPMOYNV-UHFFFAOYSA-N -1 0 239.290 3.062 20 0 BGADRM Cc1cc(-c2cc(C=O)cc(C(=O)[O-])c2)cs1 ZINC000874969048 590157528 /nfs/dbraw/zinc/15/75/28/590157528.db2.gz ANVXNWHNXIRZBK-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM Cc1ccsc1-c1cc(C=O)cc(C(=O)[O-])c1 ZINC000874969129 590157759 /nfs/dbraw/zinc/15/77/59/590157759.db2.gz FTHHTGBESWQELY-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM Cc1cccc(-c2cc(C=O)cc(C(=O)[O-])c2)c1 ZINC000874969218 590157671 /nfs/dbraw/zinc/15/76/71/590157671.db2.gz KUWRLLZQCQXNAJ-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM O=Cc1cc(C(=O)[O-])cc(-c2cccc(F)c2)c1 ZINC000874969282 590157581 /nfs/dbraw/zinc/15/75/81/590157581.db2.gz MHFTVXISWONZMT-UHFFFAOYSA-N -1 0 244.221 3.003 20 0 BGADRM Cc1c(-c2ccc(C=O)cc2)csc1C(=O)[O-] ZINC000874969454 590157592 /nfs/dbraw/zinc/15/75/92/590157592.db2.gz ANBFFVRGBCFLIF-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM Cc1cc(C(=O)[O-])cc(-c2ccc(C=O)cc2)c1 ZINC000874969647 590157734 /nfs/dbraw/zinc/15/77/34/590157734.db2.gz FDSCQBLVYNIOTA-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM O=Cc1cc(C(=O)[O-])cc(-c2ccccc2F)c1 ZINC000874969699 590157781 /nfs/dbraw/zinc/15/77/81/590157781.db2.gz SDVPAPKEJSFYOY-UHFFFAOYSA-N -1 0 244.221 3.003 20 0 BGADRM O=Cc1cc(C(=O)[O-])cc(-c2ccc(F)cc2)c1 ZINC000874969916 590157691 /nfs/dbraw/zinc/15/76/91/590157691.db2.gz UOUQLQMJKKCMJD-UHFFFAOYSA-N -1 0 244.221 3.003 20 0 BGADRM Cc1ccccc1-c1cc(C=O)cc(C(=O)[O-])c1 ZINC000874969975 590157567 /nfs/dbraw/zinc/15/75/67/590157567.db2.gz WITHJLQRQVJBDM-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM Cc1c(C(=O)[O-])csc1-c1ccc(C=O)cc1 ZINC000874970134 590158018 /nfs/dbraw/zinc/15/80/18/590158018.db2.gz LXMIDISIQRJRBT-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM Cc1sc(C(=O)[O-])cc1-c1ccc(C=O)cc1 ZINC000874970214 590158153 /nfs/dbraw/zinc/15/81/53/590158153.db2.gz NCABMVXDGJSVMH-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM Cc1ccc(C=O)cc1-c1cccc(C(=O)[O-])c1 ZINC000874970749 590157971 /nfs/dbraw/zinc/15/79/71/590157971.db2.gz ZAVIEJNAYFHORD-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM Cc1cc(-c2ccc(C=O)cc2)ccc1C(=O)[O-] ZINC000874971015 590158265 /nfs/dbraw/zinc/15/82/65/590158265.db2.gz MERCNPJRFSRIQC-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM Cc1cc(C(=O)[O-])cc(-c2ccc(C=O)s2)c1 ZINC000874971141 590158282 /nfs/dbraw/zinc/15/82/82/590158282.db2.gz RRRCUFDFUMUAQV-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM Cc1cc(-c2ccc(C=O)s2)ccc1C(=O)[O-] ZINC000874971364 590158005 /nfs/dbraw/zinc/15/80/05/590158005.db2.gz CXDHAKBKJQGBBN-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM Cc1cc(C)c(-c2ccc(C=O)o2)cc1C(=O)[O-] ZINC000874971463 590158267 /nfs/dbraw/zinc/15/82/67/590158267.db2.gz HYDRJLFIQCKZPA-UHFFFAOYSA-N -1 0 244.246 3.074 20 0 BGADRM Cc1ccc(-c2ccc(C=O)o2)c(C)c1C(=O)[O-] ZINC000874971590 590157941 /nfs/dbraw/zinc/15/79/41/590157941.db2.gz NTANPBBJGIUJIM-UHFFFAOYSA-N -1 0 244.246 3.074 20 0 BGADRM Cc1cc(-c2ccc(C=O)o2)c(C)cc1C(=O)[O-] ZINC000874971628 590157943 /nfs/dbraw/zinc/15/79/43/590157943.db2.gz PDSWGEPZRYUHNO-UHFFFAOYSA-N -1 0 244.246 3.074 20 0 BGADRM Cc1cc(-c2ccc(C=O)o2)cc(C(=O)[O-])c1C ZINC000874971848 590158243 /nfs/dbraw/zinc/15/82/43/590158243.db2.gz ZYRLRUYUXOKAAM-UHFFFAOYSA-N -1 0 244.246 3.074 20 0 BGADRM Cc1ccc(C(=O)[O-])cc1-c1cccc(C=O)c1 ZINC000874971867 590157989 /nfs/dbraw/zinc/15/79/89/590157989.db2.gz ASXHMZCZTCKVNQ-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM Cc1c(-c2cccc(C=O)c2)csc1C(=O)[O-] ZINC000874971893 590158278 /nfs/dbraw/zinc/15/82/78/590158278.db2.gz CBKMUQLTNJKDAS-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM Cc1csc(C(=O)[O-])c1-c1ccc(C=O)cc1 ZINC000874971935 590157201 /nfs/dbraw/zinc/15/72/01/590157201.db2.gz DYYHHMCCEUEWDQ-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM Cc1cc(C(=O)[O-])c(-c2ccc(C=O)cc2)s1 ZINC000874972221 590158058 /nfs/dbraw/zinc/15/80/58/590158058.db2.gz SOPACBNUMSUMES-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM Cc1cc(C(=O)[O-])cc(-c2cccc(C=O)c2)c1 ZINC000874972228 590157926 /nfs/dbraw/zinc/15/79/26/590157926.db2.gz UCKKQHSRTRHIOE-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM Cc1cc(-c2ccc(C=O)cc2)c(C(=O)[O-])s1 ZINC000874972229 590158216 /nfs/dbraw/zinc/15/82/16/590158216.db2.gz UCXXUBCZZYGXGQ-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM Cc1c(C(=O)[O-])csc1-c1cccc(C=O)c1 ZINC000874972250 590158209 /nfs/dbraw/zinc/15/82/09/590158209.db2.gz UZVGUJOFWVCDRS-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM Cc1sc(C(=O)[O-])cc1-c1cccc(C=O)c1 ZINC000874972277 590158276 /nfs/dbraw/zinc/15/82/76/590158276.db2.gz WJANZNHVCVPYIC-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM Cc1ccc(-c2cccc(C=O)c2)cc1C(=O)[O-] ZINC000874972288 590158253 /nfs/dbraw/zinc/15/82/53/590158253.db2.gz WSSNSAFSSANMRI-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM Cc1cc(-c2cccc(C=O)c2)c(C(=O)[O-])s1 ZINC000874972435 590157244 /nfs/dbraw/zinc/15/72/44/590157244.db2.gz CEAMKGQBBQSGAK-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM O=Cc1cccc(-c2cccc(C(=O)[O-])c2F)c1 ZINC000874972477 590158000 /nfs/dbraw/zinc/15/80/00/590158000.db2.gz AEMVAYHCNFZXOI-UHFFFAOYSA-N -1 0 244.221 3.003 20 0 BGADRM Cc1ccc(C(=O)[O-])c(-c2cccc(C=O)c2)c1 ZINC000874972707 590158032 /nfs/dbraw/zinc/15/80/32/590158032.db2.gz GWZJLTDSBKQLGR-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM Cc1ccc(C(=O)[O-])c(-c2ccc(C=O)cc2)c1 ZINC000874972866 590158420 /nfs/dbraw/zinc/15/84/20/590158420.db2.gz PWTSFESTOFFILB-UHFFFAOYSA-N -1 0 240.258 3.173 20 0 BGADRM O=Cc1ccc(-c2cccc(C(=O)[O-])c2F)cc1 ZINC000874973134 590158672 /nfs/dbraw/zinc/15/86/72/590158672.db2.gz VXSFCJAADUIPKO-UHFFFAOYSA-N -1 0 244.221 3.003 20 0 BGADRM Cc1csc(C(=O)[O-])c1-c1cccc(C=O)c1 ZINC000874973202 590158378 /nfs/dbraw/zinc/15/83/78/590158378.db2.gz XDNYHGRKMKIXPH-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM Cc1ccc(C(=O)[O-])c(-c2ccc(C=O)s2)c1 ZINC000874973233 590158567 /nfs/dbraw/zinc/15/85/67/590158567.db2.gz YNAUFTFXVXVWIV-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM Cc1cc(C(=O)[O-])c(-c2cccc(C=O)c2)s1 ZINC000874973369 590158617 /nfs/dbraw/zinc/15/86/17/590158617.db2.gz UYXKGOWEMUHRFT-UHFFFAOYSA-N -1 0 246.287 3.234 20 0 BGADRM O=C(CC1=CCCCC1)[N-]Oc1ccc(F)cc1 ZINC000898573900 584142476 /nfs/dbraw/zinc/14/24/76/584142476.db2.gz WSMDEZAXYLGDSU-UHFFFAOYSA-N -1 0 249.285 3.126 20 0 BGADRM CCC(C)(CC)C(=O)[N-]Oc1ccc(F)cc1 ZINC000898575484 584143324 /nfs/dbraw/zinc/14/33/24/584143324.db2.gz UZBIGSWODJSWAD-UHFFFAOYSA-N -1 0 239.290 3.062 20 0 BGADRM CCCC(C)(C)C(=O)[N-]Oc1ccc(F)cc1 ZINC000898576818 584143419 /nfs/dbraw/zinc/14/34/19/584143419.db2.gz TWPOBGOCVJDZNO-UHFFFAOYSA-N -1 0 239.290 3.062 20 0 BGADRM O=c1cc(CC2CC2)[n-]n1-c1ccccc1Cl ZINC000899346872 584199193 /nfs/dbraw/zinc/19/91/93/584199193.db2.gz YRGIABISIWXABY-UHFFFAOYSA-N -1 0 248.713 3.233 20 0 BGADRM C[C@H](c1ccccc1)n1[n-]c(CC2CC2)cc1=O ZINC000899349487 584203421 /nfs/dbraw/zinc/20/34/21/584203421.db2.gz DDHLHPNCOLPPNS-LLVKDONJSA-N -1 0 242.322 3.136 20 0 BGADRM C[C@@H](c1ccccc1)n1[n-]c(CC2CC2)cc1=O ZINC000899349488 584203172 /nfs/dbraw/zinc/20/31/72/584203172.db2.gz DDHLHPNCOLPPNS-NSHDSACASA-N -1 0 242.322 3.136 20 0 BGADRM O=c1cc(CC2CC2)[n-]n1C1CCCCCC1 ZINC000899350317 584203817 /nfs/dbraw/zinc/20/38/17/584203817.db2.gz BUOGJXRYBHZPJE-UHFFFAOYSA-N -1 0 234.343 3.098 20 0 BGADRM Cc1ccc(F)c(-n2[n-]c(CC3CC3)cc2=O)c1 ZINC000899351873 584200013 /nfs/dbraw/zinc/20/00/13/584200013.db2.gz UMLNZCSZNYIUDG-UHFFFAOYSA-N -1 0 246.285 3.027 20 0 BGADRM CC1(C)CCCC[C@H]1n1[n-]c(CC2CC2)cc1=O ZINC000899354265 584200925 /nfs/dbraw/zinc/20/09/25/584200925.db2.gz CYORYEVQWIHTSM-CYBMUJFWSA-N -1 0 248.370 3.344 20 0 BGADRM CC1(C)CCCC[C@@H]1n1[n-]c(CC2CC2)cc1=O ZINC000899354266 584201080 /nfs/dbraw/zinc/20/10/80/584201080.db2.gz CYORYEVQWIHTSM-ZDUSSCGKSA-N -1 0 248.370 3.344 20 0 BGADRM CC1(C)CCC(n2[n-]c(CC3CC3)cc2=O)CC1 ZINC000899358268 584206392 /nfs/dbraw/zinc/20/63/92/584206392.db2.gz UFTAFDBVBLJCRS-UHFFFAOYSA-N -1 0 248.370 3.344 20 0 BGADRM Cc1cc(=O)n([C@H](C)c2ccc(C(C)C)cc2)[n-]1 ZINC000899361634 584207138 /nfs/dbraw/zinc/20/71/38/584207138.db2.gz YBPXJTXHJIDRRC-GFCCVEGCSA-N -1 0 244.338 3.479 20 0 BGADRM Cc1cc(=O)n([C@@H](C)c2ccc(C(C)C)cc2)[n-]1 ZINC000899361635 584207052 /nfs/dbraw/zinc/20/70/52/584207052.db2.gz YBPXJTXHJIDRRC-LBPRGKRZSA-N -1 0 244.338 3.479 20 0 BGADRM Cc1cccc(-n2[n-]c3c(c2=O)CCC3)c1Cl ZINC000899361673 584206863 /nfs/dbraw/zinc/20/68/63/584206863.db2.gz AWKQERLKKUMNQJ-SECBINFHSA-N -1 0 248.713 3.151 20 0 BGADRM Cc1cccc(-n2[n-]c3c(c2=O)CCC3)c1Cl ZINC000899361678 584207223 /nfs/dbraw/zinc/20/72/23/584207223.db2.gz AWKQERLKKUMNQJ-VIFPVBQESA-N -1 0 248.713 3.151 20 0 BGADRM Cc1ccc(Cl)cc1-n1[n-]c(C2CC2)cc1=O ZINC000899361773 584207234 /nfs/dbraw/zinc/20/72/34/584207234.db2.gz COYALTANSNODRE-UHFFFAOYSA-N -1 0 248.713 3.151 20 0 BGADRM Cc1[n-]n(-c2cccc(C)c2Cl)c(=O)c1C ZINC000899362038 584207515 /nfs/dbraw/zinc/20/75/15/584207515.db2.gz IEYVWWSWTIABAP-MRVPVSSYSA-N -1 0 236.702 3.007 20 0 BGADRM Cc1[n-]n(-c2cccc(C)c2Cl)c(=O)c1C ZINC000899362039 584207581 /nfs/dbraw/zinc/20/75/81/584207581.db2.gz IEYVWWSWTIABAP-QMMMGPOBSA-N -1 0 236.702 3.007 20 0 BGADRM CCc1cc(=O)n(-c2cccc(C)c2Cl)[n-]1 ZINC000899362231 584207565 /nfs/dbraw/zinc/20/75/65/584207565.db2.gz NTAOZVUZPHAOAK-UHFFFAOYSA-N -1 0 236.702 3.151 20 0 BGADRM Cc1cccc(-n2[n-]c(C3CC3)cc2=O)c1Cl ZINC000899362531 584207711 /nfs/dbraw/zinc/20/77/11/584207711.db2.gz WNCCWUNIQCWHCQ-UHFFFAOYSA-N -1 0 248.713 3.151 20 0 BGADRM CCc1ccc(-c2c(C)noc2C)cc1C(=O)[O-] ZINC000899633363 584221615 /nfs/dbraw/zinc/22/16/15/584221615.db2.gz VGPBSZAOIACVEB-UHFFFAOYSA-N -1 0 245.278 3.219 20 0 BGADRM CC[C@H](C)n1cc(-c2cccc(C(=O)[O-])c2)cn1 ZINC000901001002 584373141 /nfs/dbraw/zinc/37/31/41/584373141.db2.gz ZABUPSDJFGAVLV-JTQLQIEISA-N -1 0 244.294 3.219 20 0 BGADRM CC[C@@H](C)n1cc(-c2cccc(C(=O)[O-])c2)cn1 ZINC000901001004 584373114 /nfs/dbraw/zinc/37/31/14/584373114.db2.gz ZABUPSDJFGAVLV-SNVBAGLBSA-N -1 0 244.294 3.219 20 0 BGADRM Cc1cc(-c2cc(C(=O)[O-])n(C(C)C)c2)ccn1 ZINC000901008646 637219397 /nfs/dbraw/zinc/21/93/97/637219397.db2.gz WORDAJGXLDEEJI-UHFFFAOYSA-N -1 0 244.294 3.138 20 0 BGADRM Cc1cc(-c2ccc3c(c2)CC[C@@H]3C(=O)[O-])co1 ZINC000901028689 637227486 /nfs/dbraw/zinc/22/74/86/637227486.db2.gz ABGZPOIDYUFISS-AWEZNQCLSA-N -1 0 242.274 3.369 20 0 BGADRM Cc1cc(-c2ccc3c(c2)CC[C@H]3C(=O)[O-])co1 ZINC000901028690 637227410 /nfs/dbraw/zinc/22/74/10/637227410.db2.gz ABGZPOIDYUFISS-CQSZACIVSA-N -1 0 242.274 3.369 20 0 BGADRM Cc1cc(-c2csc(CCC(=O)[O-])c2)co1 ZINC000901029339 637229508 /nfs/dbraw/zinc/22/95/08/637229508.db2.gz CTHYGJVVNPXCOV-UHFFFAOYSA-N -1 0 236.292 3.334 20 0 BGADRM Cc1cc(-c2cccc(C3(C(=O)[O-])CC3)c2)co1 ZINC000901031331 584375855 /nfs/dbraw/zinc/37/58/55/584375855.db2.gz JVIJONFWNKCSPX-UHFFFAOYSA-N -1 0 242.274 3.371 20 0 BGADRM Cc1cc(-c2cc(C)sc2CC(=O)[O-])co1 ZINC000901031414 584375590 /nfs/dbraw/zinc/37/55/90/584375590.db2.gz JZCBNRAHECTYHQ-UHFFFAOYSA-N -1 0 236.292 3.252 20 0 BGADRM Cc1cc(-c2ccc(C3(C(=O)[O-])CC3)cc2)co1 ZINC000901033707 584375827 /nfs/dbraw/zinc/37/58/27/584375827.db2.gz RCPMYPPRESAHHA-UHFFFAOYSA-N -1 0 242.274 3.371 20 0 BGADRM Cc1cnccc1-c1cc(C(=O)[O-])n(C(C)C)c1 ZINC000901039044 584376120 /nfs/dbraw/zinc/37/61/20/584376120.db2.gz GDDGBWGRBFMSRA-UHFFFAOYSA-N -1 0 244.294 3.138 20 0 BGADRM Cc1sc(C(=O)[O-])cc1-c1cnc(C2CC2)o1 ZINC000901048505 584378375 /nfs/dbraw/zinc/37/83/75/584378375.db2.gz AERSXMOEDKEGQB-UHFFFAOYSA-N -1 0 249.291 3.287 20 0 BGADRM Cc1c(-c2cnc(C3CC3)o2)csc1C(=O)[O-] ZINC000901050105 584378774 /nfs/dbraw/zinc/37/87/74/584378774.db2.gz VZYQQAGAHIIOAV-UHFFFAOYSA-N -1 0 249.291 3.287 20 0 BGADRM Cc1cc(-c2cnc(C3CC3)o2)c(C(=O)[O-])s1 ZINC000901050155 584378372 /nfs/dbraw/zinc/37/83/72/584378372.db2.gz WJPGJRDKUIWETO-UHFFFAOYSA-N -1 0 249.291 3.287 20 0 BGADRM Cc1csc(C(=O)[O-])c1-c1cnc(C2CC2)o1 ZINC000901050186 584378699 /nfs/dbraw/zinc/37/86/99/584378699.db2.gz XWTGUZSTRQGGRU-UHFFFAOYSA-N -1 0 249.291 3.287 20 0 BGADRM Cc1c(C(=O)[O-])csc1-c1cnc(C2CC2)o1 ZINC000901050272 584378797 /nfs/dbraw/zinc/37/87/97/584378797.db2.gz YBOXLGJWZIIKJE-UHFFFAOYSA-N -1 0 249.291 3.287 20 0 BGADRM Cc1cc(C(=O)[O-])c(-c2cnc(C3CC3)o2)s1 ZINC000901050420 584378721 /nfs/dbraw/zinc/37/87/21/584378721.db2.gz YNGRXUCQWJKZJA-UHFFFAOYSA-N -1 0 249.291 3.287 20 0 BGADRM Cc1cc(-c2cnc(C3CC3)o2)ccc1C(=O)[O-] ZINC000901050648 584379018 /nfs/dbraw/zinc/37/90/18/584379018.db2.gz ITQQHCAEZVMPQL-UHFFFAOYSA-N -1 0 243.262 3.226 20 0 BGADRM Cc1cc(-c2cccc(C(C)(C)C(=O)[O-])c2)on1 ZINC000901061771 584380654 /nfs/dbraw/zinc/38/06/54/584380654.db2.gz KOTFYKJRXSHICU-UHFFFAOYSA-N -1 0 245.278 3.012 20 0 BGADRM CC[C@@H](C(=O)[O-])c1ccc(-c2cc(C)no2)cc1 ZINC000901062315 584380382 /nfs/dbraw/zinc/38/03/82/584380382.db2.gz MAZALCGQBLSAFD-GFCCVEGCSA-N -1 0 245.278 3.228 20 0 BGADRM CC[C@H](C(=O)[O-])c1ccc(-c2cc(C)no2)cc1 ZINC000901062316 584380509 /nfs/dbraw/zinc/38/05/09/584380509.db2.gz MAZALCGQBLSAFD-LBPRGKRZSA-N -1 0 245.278 3.228 20 0 BGADRM Cc1cc(-c2sc(C)c(C)c2C(=O)[O-])on1 ZINC000901063842 584380578 /nfs/dbraw/zinc/38/05/78/584380578.db2.gz QMMRHJKPXUUYHL-UHFFFAOYSA-N -1 0 237.280 3.027 20 0 BGADRM Cc1cc(-c2ccccc2CCCC(=O)[O-])on1 ZINC000901063958 584380238 /nfs/dbraw/zinc/38/02/38/584380238.db2.gz SWZMTXVXEKQFFH-UHFFFAOYSA-N -1 0 245.278 3.057 20 0 BGADRM Cc1cc(-c2ccccc2C(C)(C)C(=O)[O-])on1 ZINC000901064589 584380589 /nfs/dbraw/zinc/38/05/89/584380589.db2.gz WGOSYZQADXXBNO-UHFFFAOYSA-N -1 0 245.278 3.012 20 0 BGADRM Cc1cc(-c2ccc([C@H](C)CC(=O)[O-])cc2)on1 ZINC000901065207 584380456 /nfs/dbraw/zinc/38/04/56/584380456.db2.gz ZHVYQGUJQAWHPQ-SECBINFHSA-N -1 0 245.278 3.228 20 0 BGADRM Cc1cc(-c2ccc([C@@H](C)CC(=O)[O-])cc2)on1 ZINC000901065208 584380229 /nfs/dbraw/zinc/38/02/29/584380229.db2.gz ZHVYQGUJQAWHPQ-VIFPVBQESA-N -1 0 245.278 3.228 20 0 BGADRM Cc1ccncc1-c1cc(C(=O)[O-])n(C(C)C)c1 ZINC000901066220 584380934 /nfs/dbraw/zinc/38/09/34/584380934.db2.gz WZNQUPIGWYNBFU-UHFFFAOYSA-N -1 0 244.294 3.138 20 0 BGADRM CC(C)CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000901510119 584457162 /nfs/dbraw/zinc/45/71/62/584457162.db2.gz BAOMFJOWCWODKA-UHFFFAOYSA-N -1 0 235.327 3.117 20 0 BGADRM C[C@H](Nc1ccc(C(C)(C)C(=O)[O-])cc1)C1CC1 ZINC000901510485 584457233 /nfs/dbraw/zinc/45/72/33/584457233.db2.gz FJKABBMKHODXIE-JTQLQIEISA-N -1 0 247.338 3.259 20 0 BGADRM C[C@@H](Nc1ccc(C(C)(C)C(=O)[O-])cc1)C1CC1 ZINC000901510486 584457141 /nfs/dbraw/zinc/45/71/41/584457141.db2.gz FJKABBMKHODXIE-SNVBAGLBSA-N -1 0 247.338 3.259 20 0 BGADRM CC(C)(C(=O)[O-])c1ccc(NCC2(C)CC2)cc1 ZINC000901513417 584460987 /nfs/dbraw/zinc/46/09/87/584460987.db2.gz ULGYVNRPAFEHEJ-UHFFFAOYSA-N -1 0 247.338 3.261 20 0 BGADRM C[C@H](CC(=O)[O-])c1ccc(NCC2(C)CC2)cc1 ZINC000901514116 584461710 /nfs/dbraw/zinc/46/17/10/584461710.db2.gz QOQZDGDZEGLDFV-LLVKDONJSA-N -1 0 247.338 3.477 20 0 BGADRM C[C@@H](CC(=O)[O-])c1ccc(NCC2(C)CC2)cc1 ZINC000901514117 584461504 /nfs/dbraw/zinc/46/15/04/584461504.db2.gz QOQZDGDZEGLDFV-NSHDSACASA-N -1 0 247.338 3.477 20 0 BGADRM C[C@@H](Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C1CC1 ZINC000901537749 584460712 /nfs/dbraw/zinc/46/07/12/584460712.db2.gz BQYWMYDLNUIYIW-MRVPVSSYSA-N -1 0 244.294 3.077 20 0 BGADRM C[C@H](Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C1CC1 ZINC000901537750 584460443 /nfs/dbraw/zinc/46/04/43/584460443.db2.gz BQYWMYDLNUIYIW-QMMMGPOBSA-N -1 0 244.294 3.077 20 0 BGADRM CC1(CNc2ccc3c(C(=O)[O-])c[nH]c3c2)CC1 ZINC000901538387 584460640 /nfs/dbraw/zinc/46/06/40/584460640.db2.gz DPXSLLWDZKEDAK-UHFFFAOYSA-N -1 0 244.294 3.078 20 0 BGADRM CC(C)[C@@H](C)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000901539020 584460615 /nfs/dbraw/zinc/46/06/15/584460615.db2.gz GEZIWQNRUQMDKI-SECBINFHSA-N -1 0 246.310 3.323 20 0 BGADRM CC(C)[C@H](C)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000901539023 584460616 /nfs/dbraw/zinc/46/06/16/584460616.db2.gz GEZIWQNRUQMDKI-VIFPVBQESA-N -1 0 246.310 3.323 20 0 BGADRM O=C([O-])c1c[nH]c2cc(NC3CCCC3)ccc12 ZINC000901541072 584460903 /nfs/dbraw/zinc/46/09/03/584460903.db2.gz TVTQAQVYJJKCFH-UHFFFAOYSA-N -1 0 244.294 3.221 20 0 BGADRM CC[C@H](Nc1cccc(CCC(=O)[O-])c1)C1CC1 ZINC000901555237 584462382 /nfs/dbraw/zinc/46/23/82/584462382.db2.gz QQGGXSSMAOTZGI-AWEZNQCLSA-N -1 0 247.338 3.304 20 0 BGADRM CC[C@@H](Nc1cccc(CCC(=O)[O-])c1)C1CC1 ZINC000901555238 584462276 /nfs/dbraw/zinc/46/22/76/584462276.db2.gz QQGGXSSMAOTZGI-CQSZACIVSA-N -1 0 247.338 3.304 20 0 BGADRM CC[C@H]1CC[C@H]1Nc1ccc(CCC(=O)[O-])cc1 ZINC000901638169 584473317 /nfs/dbraw/zinc/47/33/17/584473317.db2.gz ADNOBXNYFDYJCX-GXTWGEPZSA-N -1 0 247.338 3.304 20 0 BGADRM CC[C@H]1CC[C@@H]1Nc1ccc(CCC(=O)[O-])cc1 ZINC000901638170 584473141 /nfs/dbraw/zinc/47/31/41/584473141.db2.gz ADNOBXNYFDYJCX-JSGCOSHPSA-N -1 0 247.338 3.304 20 0 BGADRM CC[C@@H]1CC[C@@H]1Nc1ccc(CCC(=O)[O-])cc1 ZINC000901638171 584473362 /nfs/dbraw/zinc/47/33/62/584473362.db2.gz ADNOBXNYFDYJCX-OCCSQVGLSA-N -1 0 247.338 3.304 20 0 BGADRM CC[C@@H]1CC[C@H]1Nc1ccc(CCC(=O)[O-])cc1 ZINC000901638172 584473338 /nfs/dbraw/zinc/47/33/38/584473338.db2.gz ADNOBXNYFDYJCX-TZMCWYRMSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@@H](Nc1ccc(CCC(=O)[O-])cc1)C1CCC1 ZINC000901638338 584473302 /nfs/dbraw/zinc/47/33/02/584473302.db2.gz CHJFUYIZLBCZGJ-LLVKDONJSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@H](Nc1ccc(CCC(=O)[O-])cc1)C1CCC1 ZINC000901638339 584473354 /nfs/dbraw/zinc/47/33/54/584473354.db2.gz CHJFUYIZLBCZGJ-NSHDSACASA-N -1 0 247.338 3.304 20 0 BGADRM C[C@@H]1CCC[C@H]1Nc1ccc(CCC(=O)[O-])cc1 ZINC000901638761 584473380 /nfs/dbraw/zinc/47/33/80/584473380.db2.gz DPJCFBWUNVPEFU-BXUZGUMPSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@H]1CCC[C@@H]1Nc1ccc(CCC(=O)[O-])cc1 ZINC000901638764 584473204 /nfs/dbraw/zinc/47/32/04/584473204.db2.gz DPJCFBWUNVPEFU-FZMZJTMJSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@@H]1CCC[C@@H]1Nc1ccc(CCC(=O)[O-])cc1 ZINC000901638767 584473370 /nfs/dbraw/zinc/47/33/70/584473370.db2.gz DPJCFBWUNVPEFU-RISCZKNCSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@H]1CCC[C@H]1Nc1ccc(CCC(=O)[O-])cc1 ZINC000901638770 584473325 /nfs/dbraw/zinc/47/33/25/584473325.db2.gz DPJCFBWUNVPEFU-SMDDNHRTSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@@H]1CC[C@@H](Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000901639479 584473407 /nfs/dbraw/zinc/47/34/07/584473407.db2.gz LEDUWJLGUOIYHI-BXUZGUMPSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@H]1CC[C@H](Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000901639480 584473131 /nfs/dbraw/zinc/47/31/31/584473131.db2.gz LEDUWJLGUOIYHI-FZMZJTMJSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@@H]1CC[C@H](Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000901639481 584473332 /nfs/dbraw/zinc/47/33/32/584473332.db2.gz LEDUWJLGUOIYHI-RISCZKNCSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@H]1CC[C@@H](Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000901639482 584473399 /nfs/dbraw/zinc/47/33/99/584473399.db2.gz LEDUWJLGUOIYHI-SMDDNHRTSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@H](CC1CC1)Nc1ccc(CCC(=O)[O-])cc1 ZINC000901640111 584473219 /nfs/dbraw/zinc/47/32/19/584473219.db2.gz RVSDWBMLSDSGCM-LLVKDONJSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@@H](CC1CC1)Nc1ccc(CCC(=O)[O-])cc1 ZINC000901640112 584473272 /nfs/dbraw/zinc/47/32/72/584473272.db2.gz RVSDWBMLSDSGCM-NSHDSACASA-N -1 0 247.338 3.304 20 0 BGADRM CC1(C)CC(Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000901640712 584473575 /nfs/dbraw/zinc/47/35/75/584473575.db2.gz YCBOZRHIQSBPRN-UHFFFAOYSA-N -1 0 247.338 3.304 20 0 BGADRM CC1(CNc2ccc(CCC(=O)[O-])cc2)CCC1 ZINC000901640988 584473808 /nfs/dbraw/zinc/47/38/08/584473808.db2.gz YVBQLRAYIGFCRK-UHFFFAOYSA-N -1 0 247.338 3.306 20 0 BGADRM CC[C@H](Nc1ccc(CCC(=O)[O-])cc1)C1CC1 ZINC000901640993 584473854 /nfs/dbraw/zinc/47/38/54/584473854.db2.gz ZAYUPFMOQGYYOZ-AWEZNQCLSA-N -1 0 247.338 3.304 20 0 BGADRM CC[C@@H](Nc1ccc(CCC(=O)[O-])cc1)C1CC1 ZINC000901640994 584473730 /nfs/dbraw/zinc/47/37/30/584473730.db2.gz ZAYUPFMOQGYYOZ-CQSZACIVSA-N -1 0 247.338 3.304 20 0 BGADRM O=C([O-])Cc1cccc(N[C@@H]2CCC23CCC3)c1 ZINC000901660420 584476663 /nfs/dbraw/zinc/47/66/63/584476663.db2.gz BWULVBUIOLUGSA-CYBMUJFWSA-N -1 0 245.322 3.058 20 0 BGADRM O=C([O-])Cc1cccc(N[C@H]2CCC23CCC3)c1 ZINC000901660423 584476816 /nfs/dbraw/zinc/47/68/16/584476816.db2.gz BWULVBUIOLUGSA-ZDUSSCGKSA-N -1 0 245.322 3.058 20 0 BGADRM CC(C)C1(CNc2cccc(CC(=O)[O-])c2)CC1 ZINC000901661251 584476416 /nfs/dbraw/zinc/47/64/16/584476416.db2.gz FZBWPBFWOHGUIG-UHFFFAOYSA-N -1 0 247.338 3.162 20 0 BGADRM O=C([O-])Cc1cccc(N[C@@H]2CCCC23CC3)c1 ZINC000901663156 584477210 /nfs/dbraw/zinc/47/72/10/584477210.db2.gz SBQQZUPRLYBBCS-CYBMUJFWSA-N -1 0 245.322 3.058 20 0 BGADRM O=C([O-])Cc1cccc(N[C@H]2CCCC23CC3)c1 ZINC000901663157 584477344 /nfs/dbraw/zinc/47/73/44/584477344.db2.gz SBQQZUPRLYBBCS-ZDUSSCGKSA-N -1 0 245.322 3.058 20 0 BGADRM CC1=CC[C@@H](Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000901663856 584477247 /nfs/dbraw/zinc/47/72/47/584477247.db2.gz WPSSXPGVWSQTRO-CYBMUJFWSA-N -1 0 245.322 3.224 20 0 BGADRM CC1=CC[C@H](Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000901663858 584477200 /nfs/dbraw/zinc/47/72/00/584477200.db2.gz WPSSXPGVWSQTRO-ZDUSSCGKSA-N -1 0 245.322 3.224 20 0 BGADRM CC(C)=C(C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000901708636 584486322 /nfs/dbraw/zinc/48/63/22/584486322.db2.gz XQOSVCFSGYIXNP-UHFFFAOYSA-N -1 0 247.294 3.070 20 0 BGADRM C[C@H](Cc1ccc(NC[C@H]2C[C@@H]2C)cc1)C(=O)[O-] ZINC000901730538 584485794 /nfs/dbraw/zinc/48/57/94/584485794.db2.gz BUBSZHUZWGKVCH-DMDPSCGWSA-N -1 0 247.338 3.018 20 0 BGADRM C[C@H](Cc1ccc(NC[C@@H]2C[C@@H]2C)cc1)C(=O)[O-] ZINC000901730540 584485976 /nfs/dbraw/zinc/48/59/76/584485976.db2.gz BUBSZHUZWGKVCH-LOWVWBTDSA-N -1 0 247.338 3.018 20 0 BGADRM C[C@H](Cc1ccc(NC[C@H]2C[C@H]2C)cc1)C(=O)[O-] ZINC000901730542 584485777 /nfs/dbraw/zinc/48/57/77/584485777.db2.gz BUBSZHUZWGKVCH-NQBHXWOUSA-N -1 0 247.338 3.018 20 0 BGADRM C[C@H](Cc1ccc(NC[C@@H]2C[C@H]2C)cc1)C(=O)[O-] ZINC000901731022 584486037 /nfs/dbraw/zinc/48/60/37/584486037.db2.gz BUBSZHUZWGKVCH-WZRBSPASSA-N -1 0 247.338 3.018 20 0 BGADRM C[C@H](Cc1ccc(N[C@H](C)C2CC2)cc1)C(=O)[O-] ZINC000901731065 584485968 /nfs/dbraw/zinc/48/59/68/584485968.db2.gz CZBGZRMPMBQWDJ-GHMZBOCLSA-N -1 0 247.338 3.160 20 0 BGADRM C[C@H](Cc1ccc(N[C@@H](C)C2CC2)cc1)C(=O)[O-] ZINC000901731066 584485941 /nfs/dbraw/zinc/48/59/41/584485941.db2.gz CZBGZRMPMBQWDJ-MNOVXSKESA-N -1 0 247.338 3.160 20 0 BGADRM C[C@@H](Cc1ccc(N[C@@H](C)C2CC2)cc1)C(=O)[O-] ZINC000901731067 584485806 /nfs/dbraw/zinc/48/58/06/584485806.db2.gz CZBGZRMPMBQWDJ-QWRGUYRKSA-N -1 0 247.338 3.160 20 0 BGADRM C[C@@H](Nc1ccc(C[C@H](C)C(=O)[O-])cc1)C1CC1 ZINC000901731068 584485854 /nfs/dbraw/zinc/48/58/54/584485854.db2.gz CZBGZRMPMBQWDJ-WDEREUQCSA-N -1 0 247.338 3.160 20 0 BGADRM CC(C)CNc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000901731097 584486036 /nfs/dbraw/zinc/48/60/36/584486036.db2.gz DRARVGBDWWIHLG-LLVKDONJSA-N -1 0 235.327 3.018 20 0 BGADRM CC(C)CNc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000901731098 584485758 /nfs/dbraw/zinc/48/57/58/584485758.db2.gz DRARVGBDWWIHLG-NSHDSACASA-N -1 0 235.327 3.018 20 0 BGADRM CC(C)[C@H](C)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000901733380 584490881 /nfs/dbraw/zinc/49/08/81/584490881.db2.gz PEKYYCNHLPYKCR-NEPJUHHUSA-N -1 0 249.354 3.406 20 0 BGADRM CC(C)[C@@H](C)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000901733381 584490755 /nfs/dbraw/zinc/49/07/55/584490755.db2.gz PEKYYCNHLPYKCR-NWDGAFQWSA-N -1 0 249.354 3.406 20 0 BGADRM CC(C)[C@H](C)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000901733382 584490740 /nfs/dbraw/zinc/49/07/40/584490740.db2.gz PEKYYCNHLPYKCR-RYUDHWBXSA-N -1 0 249.354 3.406 20 0 BGADRM CC(C)[C@@H](C)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000901733383 584490704 /nfs/dbraw/zinc/49/07/04/584490704.db2.gz PEKYYCNHLPYKCR-VXGBXAGGSA-N -1 0 249.354 3.406 20 0 BGADRM C[C@H](Cc1ccc(NC2CCCC2)cc1)C(=O)[O-] ZINC000901734457 584488259 /nfs/dbraw/zinc/48/82/59/584488259.db2.gz VTCKPFJRFHCDBS-LLVKDONJSA-N -1 0 247.338 3.304 20 0 BGADRM C[C@@H](Cc1ccc(NC2CCCC2)cc1)C(=O)[O-] ZINC000901734458 584488264 /nfs/dbraw/zinc/48/82/64/584488264.db2.gz VTCKPFJRFHCDBS-NSHDSACASA-N -1 0 247.338 3.304 20 0 BGADRM C[C@H](Cc1ccc(NCC2(C)CC2)cc1)C(=O)[O-] ZINC000901737285 584489279 /nfs/dbraw/zinc/48/92/79/584489279.db2.gz YFIYIFPKSMKXQB-LLVKDONJSA-N -1 0 247.338 3.162 20 0 BGADRM C[C@@H](Cc1ccc(NCC2(C)CC2)cc1)C(=O)[O-] ZINC000901737286 584489429 /nfs/dbraw/zinc/48/94/29/584489429.db2.gz YFIYIFPKSMKXQB-NSHDSACASA-N -1 0 247.338 3.162 20 0 BGADRM C[C@H](C(=O)[O-])c1cccc(NCC(C)(C)C)c1 ZINC000901813217 584498746 /nfs/dbraw/zinc/49/87/46/584498746.db2.gz BPRIMCUIRHRKMI-JTQLQIEISA-N -1 0 235.327 3.333 20 0 BGADRM C[C@@H](C(=O)[O-])c1cccc(NCC(C)(C)C)c1 ZINC000901813218 584499028 /nfs/dbraw/zinc/49/90/28/584499028.db2.gz BPRIMCUIRHRKMI-SNVBAGLBSA-N -1 0 235.327 3.333 20 0 BGADRM CC[C@@H](C)CNc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000901813250 584499063 /nfs/dbraw/zinc/49/90/63/584499063.db2.gz CRUZMSXOMSCWOY-GHMZBOCLSA-N -1 0 235.327 3.333 20 0 BGADRM CC[C@@H](C)CNc1cccc([C@H](C)C(=O)[O-])c1 ZINC000901813251 584498977 /nfs/dbraw/zinc/49/89/77/584498977.db2.gz CRUZMSXOMSCWOY-MNOVXSKESA-N -1 0 235.327 3.333 20 0 BGADRM CC[C@H](C)CNc1cccc([C@H](C)C(=O)[O-])c1 ZINC000901813252 584499035 /nfs/dbraw/zinc/49/90/35/584499035.db2.gz CRUZMSXOMSCWOY-QWRGUYRKSA-N -1 0 235.327 3.333 20 0 BGADRM CC[C@H](C)CNc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000901813253 584498854 /nfs/dbraw/zinc/49/88/54/584498854.db2.gz CRUZMSXOMSCWOY-WDEREUQCSA-N -1 0 235.327 3.333 20 0 BGADRM C[C@H](C(=O)[O-])c1cccc(NC2CCCC2)c1 ZINC000901813826 584499495 /nfs/dbraw/zinc/49/94/95/584499495.db2.gz DOHRAVSCMNMHLX-JTQLQIEISA-N -1 0 233.311 3.229 20 0 BGADRM C[C@@H](C(=O)[O-])c1cccc(NC2CCCC2)c1 ZINC000901813827 584499592 /nfs/dbraw/zinc/49/95/92/584499592.db2.gz DOHRAVSCMNMHLX-SNVBAGLBSA-N -1 0 233.311 3.229 20 0 BGADRM C[C@H](CC1CC1)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000901813828 584499320 /nfs/dbraw/zinc/49/93/20/584499320.db2.gz DQRJEFCOTLNORR-GHMZBOCLSA-N -1 0 247.338 3.475 20 0 BGADRM C[C@H](CC1CC1)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000901813829 584499475 /nfs/dbraw/zinc/49/94/75/584499475.db2.gz DQRJEFCOTLNORR-MNOVXSKESA-N -1 0 247.338 3.475 20 0 BGADRM C[C@@H](CC1CC1)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000901813830 584499588 /nfs/dbraw/zinc/49/95/88/584499588.db2.gz DQRJEFCOTLNORR-QWRGUYRKSA-N -1 0 247.338 3.475 20 0 BGADRM C[C@@H](C(=O)[O-])c1cccc(N[C@@H](C)CC2CC2)c1 ZINC000901813831 584499278 /nfs/dbraw/zinc/49/92/78/584499278.db2.gz DQRJEFCOTLNORR-WDEREUQCSA-N -1 0 247.338 3.475 20 0 BGADRM C[C@H](C(=O)[O-])c1cccc(N[C@@H]2CCC[C@@H]2C)c1 ZINC000901813869 584499358 /nfs/dbraw/zinc/49/93/58/584499358.db2.gz FNKLOOYZBKYEFB-COPLHBTASA-N -1 0 247.338 3.475 20 0 BGADRM C[C@H](C(=O)[O-])c1cccc(N[C@H]2CCC[C@@H]2C)c1 ZINC000901813870 584499234 /nfs/dbraw/zinc/49/92/34/584499234.db2.gz FNKLOOYZBKYEFB-MJVIPROJSA-N -1 0 247.338 3.475 20 0 BGADRM C[C@H](C(=O)[O-])c1cccc(N[C@H]2CCC[C@H]2C)c1 ZINC000901813871 584499537 /nfs/dbraw/zinc/49/95/37/584499537.db2.gz FNKLOOYZBKYEFB-SUNKGSAMSA-N -1 0 247.338 3.475 20 0 BGADRM C[C@H](C(=O)[O-])c1cccc(N[C@@H]2CCC[C@H]2C)c1 ZINC000901813872 584499311 /nfs/dbraw/zinc/49/93/11/584499311.db2.gz FNKLOOYZBKYEFB-UHIISALHSA-N -1 0 247.338 3.475 20 0 BGADRM C[C@H](C(=O)[O-])c1cccc(NC2CC(C)(C)C2)c1 ZINC000901813911 584499400 /nfs/dbraw/zinc/49/94/00/584499400.db2.gz GJJFJEJELWAFIC-JTQLQIEISA-N -1 0 247.338 3.475 20 0 BGADRM C[C@@H](C(=O)[O-])c1cccc(NC2CC(C)(C)C2)c1 ZINC000901813912 584499529 /nfs/dbraw/zinc/49/95/29/584499529.db2.gz GJJFJEJELWAFIC-SNVBAGLBSA-N -1 0 247.338 3.475 20 0 BGADRM CC[C@H](Nc1cccc([C@H](C)C(=O)[O-])c1)C1CC1 ZINC000901814343 584499290 /nfs/dbraw/zinc/49/92/90/584499290.db2.gz HAKOCYKHQWFPTR-HZMBPMFUSA-N -1 0 247.338 3.475 20 0 BGADRM CC[C@@H](Nc1cccc([C@H](C)C(=O)[O-])c1)C1CC1 ZINC000901814344 584499598 /nfs/dbraw/zinc/49/95/98/584499598.db2.gz HAKOCYKHQWFPTR-IINYFYTJSA-N -1 0 247.338 3.475 20 0 BGADRM CC[C@@H](Nc1cccc([C@@H](C)C(=O)[O-])c1)C1CC1 ZINC000901814345 584499296 /nfs/dbraw/zinc/49/92/96/584499296.db2.gz HAKOCYKHQWFPTR-QMTHXVAHSA-N -1 0 247.338 3.475 20 0 BGADRM CC[C@H](Nc1cccc([C@@H](C)C(=O)[O-])c1)C1CC1 ZINC000901814346 584499318 /nfs/dbraw/zinc/49/93/18/584499318.db2.gz HAKOCYKHQWFPTR-YGRLFVJLSA-N -1 0 247.338 3.475 20 0 BGADRM CC[C@@H]1CC[C@@H]1Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000901814355 584499371 /nfs/dbraw/zinc/49/93/71/584499371.db2.gz HDZDPYOEIMOJMD-GYSYKLTISA-N -1 0 247.338 3.475 20 0 BGADRM CC[C@@H]1CC[C@H]1Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000901814356 584499573 /nfs/dbraw/zinc/49/95/73/584499573.db2.gz HDZDPYOEIMOJMD-JTNHKYCSSA-N -1 0 247.338 3.475 20 0 BGADRM CC[C@@H]1CC[C@H]1Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000901814358 584499261 /nfs/dbraw/zinc/49/92/61/584499261.db2.gz HDZDPYOEIMOJMD-MISXGVKJSA-N -1 0 247.338 3.475 20 0 BGADRM CC[C@@H]1CC[C@@H]1Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000901814360 584499258 /nfs/dbraw/zinc/49/92/58/584499258.db2.gz HDZDPYOEIMOJMD-WDMOLILDSA-N -1 0 247.338 3.475 20 0 BGADRM CCC(CC)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000901815211 584499450 /nfs/dbraw/zinc/49/94/50/584499450.db2.gz JGVCRYYQASAOEP-JTQLQIEISA-N -1 0 235.327 3.475 20 0 BGADRM CCC(CC)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000901815215 584499314 /nfs/dbraw/zinc/49/93/14/584499314.db2.gz JGVCRYYQASAOEP-SNVBAGLBSA-N -1 0 235.327 3.475 20 0 BGADRM C[C@@H](C(=O)[O-])c1cccc(N[C@H](C)C2CC2)c1 ZINC000901815811 584493874 /nfs/dbraw/zinc/49/38/74/584493874.db2.gz LVQFORIVUBDZLR-NXEZZACHSA-N -1 0 233.311 3.085 20 0 BGADRM C[C@H](C(=O)[O-])c1cccc(N[C@@H](C)C2CC2)c1 ZINC000901815812 584493971 /nfs/dbraw/zinc/49/39/71/584493971.db2.gz LVQFORIVUBDZLR-UWVGGRQHSA-N -1 0 233.311 3.085 20 0 BGADRM C[C@@H](Nc1cccc([C@H](C)C(=O)[O-])c1)C1CC1 ZINC000901815813 584493965 /nfs/dbraw/zinc/49/39/65/584493965.db2.gz LVQFORIVUBDZLR-VHSXEESVSA-N -1 0 233.311 3.085 20 0 BGADRM C[C@@H](C(=O)[O-])c1cccc(N[C@@H](C)C2CC2)c1 ZINC000901815814 584493721 /nfs/dbraw/zinc/49/37/21/584493721.db2.gz LVQFORIVUBDZLR-ZJUUUORDSA-N -1 0 233.311 3.085 20 0 BGADRM C[C@H](C(=O)[O-])c1cccc(NCC2(C)CC2)c1 ZINC000901816037 584493985 /nfs/dbraw/zinc/49/39/85/584493985.db2.gz RPIGBKUUGMARCE-JTQLQIEISA-N -1 0 233.311 3.087 20 0 BGADRM C[C@@H](C(=O)[O-])c1cccc(NCC2(C)CC2)c1 ZINC000901816038 584493716 /nfs/dbraw/zinc/49/37/16/584493716.db2.gz RPIGBKUUGMARCE-SNVBAGLBSA-N -1 0 233.311 3.087 20 0 BGADRM C[C@@H](C(=O)[O-])c1cccc(NCC2(C)CCC2)c1 ZINC000901816258 584494069 /nfs/dbraw/zinc/49/40/69/584494069.db2.gz MUKKJPMQMUVUEP-LLVKDONJSA-N -1 0 247.338 3.477 20 0 BGADRM C[C@H](C(=O)[O-])c1cccc(NCC2(C)CCC2)c1 ZINC000901816259 584493752 /nfs/dbraw/zinc/49/37/52/584493752.db2.gz MUKKJPMQMUVUEP-NSHDSACASA-N -1 0 247.338 3.477 20 0 BGADRM CC(C)[C@@H](C)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000901817516 584500458 /nfs/dbraw/zinc/50/04/58/584500458.db2.gz SHABLXGMDCGUDJ-GHMZBOCLSA-N -1 0 235.327 3.331 20 0 BGADRM CC(C)[C@H](C)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000901817517 584500146 /nfs/dbraw/zinc/50/01/46/584500146.db2.gz SHABLXGMDCGUDJ-MNOVXSKESA-N -1 0 235.327 3.331 20 0 BGADRM CC(C)[C@H](C)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000901817519 584500297 /nfs/dbraw/zinc/50/02/97/584500297.db2.gz SHABLXGMDCGUDJ-QWRGUYRKSA-N -1 0 235.327 3.331 20 0 BGADRM CC(C)[C@@H](C)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000901817520 584500356 /nfs/dbraw/zinc/50/03/56/584500356.db2.gz SHABLXGMDCGUDJ-WDEREUQCSA-N -1 0 235.327 3.331 20 0 BGADRM C[C@@H](C(=O)[O-])c1cccc(N[C@H]2CC[C@@H](C)C2)c1 ZINC000901817938 584500269 /nfs/dbraw/zinc/50/02/69/584500269.db2.gz UIRCPDNYSKULOV-GYSYKLTISA-N -1 0 247.338 3.475 20 0 BGADRM C[C@@H](C(=O)[O-])c1cccc(N[C@@H]2CC[C@@H](C)C2)c1 ZINC000901817939 584500192 /nfs/dbraw/zinc/50/01/92/584500192.db2.gz UIRCPDNYSKULOV-JTNHKYCSSA-N -1 0 247.338 3.475 20 0 BGADRM C[C@H](C(=O)[O-])c1cccc(N[C@H]2CC[C@@H](C)C2)c1 ZINC000901817940 584500311 /nfs/dbraw/zinc/50/03/11/584500311.db2.gz UIRCPDNYSKULOV-SUNKGSAMSA-N -1 0 247.338 3.475 20 0 BGADRM C[C@H](C(=O)[O-])c1cccc(N[C@@H]2CC[C@@H](C)C2)c1 ZINC000901817941 584500299 /nfs/dbraw/zinc/50/02/99/584500299.db2.gz UIRCPDNYSKULOV-UHIISALHSA-N -1 0 247.338 3.475 20 0 BGADRM C[C@@H](C(=O)[O-])c1cccc(N[C@H](C)C2CCC2)c1 ZINC000901817986 584500554 /nfs/dbraw/zinc/50/05/54/584500554.db2.gz VDLLADNEIPCABM-GHMZBOCLSA-N -1 0 247.338 3.475 20 0 BGADRM C[C@@H](C(=O)[O-])c1cccc(N[C@@H](C)C2CCC2)c1 ZINC000901817987 584500175 /nfs/dbraw/zinc/50/01/75/584500175.db2.gz VDLLADNEIPCABM-MNOVXSKESA-N -1 0 247.338 3.475 20 0 BGADRM C[C@H](C(=O)[O-])c1cccc(N[C@@H](C)C2CCC2)c1 ZINC000901817988 584500296 /nfs/dbraw/zinc/50/02/96/584500296.db2.gz VDLLADNEIPCABM-QWRGUYRKSA-N -1 0 247.338 3.475 20 0 BGADRM C[C@@H](Nc1cccc([C@H](C)C(=O)[O-])c1)C1CCC1 ZINC000901817989 584500290 /nfs/dbraw/zinc/50/02/90/584500290.db2.gz VDLLADNEIPCABM-WDEREUQCSA-N -1 0 247.338 3.475 20 0 BGADRM [O-]c1c(F)cccc1-c1nc(C2CCCC2)no1 ZINC000901912445 584505764 /nfs/dbraw/zinc/50/57/64/584505764.db2.gz XYNFRJPIBKQTMW-UHFFFAOYSA-N -1 0 248.257 3.239 20 0 BGADRM CCC(CC)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000901945329 584506794 /nfs/dbraw/zinc/50/67/94/584506794.db2.gz JKBBZBFHMBQTII-UONOGXRCSA-N -1 0 247.338 3.475 20 0 BGADRM C[C@@H](Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)C1CC1 ZINC000901946272 584506812 /nfs/dbraw/zinc/50/68/12/584506812.db2.gz DORZUZCWVZPRPQ-BIGNPOOSSA-N -1 0 245.322 3.085 20 0 BGADRM C[C@H](Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)C1CC1 ZINC000901946273 584506697 /nfs/dbraw/zinc/50/66/97/584506697.db2.gz DORZUZCWVZPRPQ-QCZZGDTMSA-N -1 0 245.322 3.085 20 0 BGADRM CC(C)[C@@H](C)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000901946660 710875602 /nfs/dbraw/zinc/87/56/02/710875602.db2.gz HUMFLGUJRVSGFN-DDTOSNHZSA-N -1 0 247.338 3.331 20 0 BGADRM CC(C)[C@H](C)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000901946661 710875541 /nfs/dbraw/zinc/87/55/41/710875541.db2.gz HUMFLGUJRVSGFN-LEWSCRJBSA-N -1 0 247.338 3.331 20 0 BGADRM CC1(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC000901946684 710875307 /nfs/dbraw/zinc/87/53/07/710875307.db2.gz IRZMKQZUCAYFMQ-QWHCGFSZSA-N -1 0 245.322 3.087 20 0 BGADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC2CCCC2)cc1 ZINC000901947658 584507092 /nfs/dbraw/zinc/50/70/92/584507092.db2.gz OFILCFWPKMMDLP-UONOGXRCSA-N -1 0 245.322 3.229 20 0 BGADRM CC(C)(C)CNc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000901947761 584507065 /nfs/dbraw/zinc/50/70/65/584507065.db2.gz RECKUXMIENIQQS-QWHCGFSZSA-N -1 0 247.338 3.333 20 0 BGADRM CC[C@@H](C)CNc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000901948464 584506934 /nfs/dbraw/zinc/50/69/34/584506934.db2.gz YTUKVRPDQJGHOB-DDTOSNHZSA-N -1 0 247.338 3.333 20 0 BGADRM CC[C@H](C)CNc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000901948466 584507104 /nfs/dbraw/zinc/50/71/04/584507104.db2.gz YTUKVRPDQJGHOB-LEWSCRJBSA-N -1 0 247.338 3.333 20 0 BGADRM Cc1ccccc1N[C@@H]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000902051128 584517270 /nfs/dbraw/zinc/51/72/70/584517270.db2.gz GTDDMUSLIDSLCX-JHJVBQTASA-N -1 0 247.338 3.296 20 0 BGADRM Cc1ccccc1N[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000902051129 584517790 /nfs/dbraw/zinc/51/77/90/584517790.db2.gz GTDDMUSLIDSLCX-UPJWGTAASA-N -1 0 247.338 3.296 20 0 BGADRM Cc1ccccc1N[C@@H]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000902051130 584517591 /nfs/dbraw/zinc/51/75/91/584517591.db2.gz GTDDMUSLIDSLCX-XQQFMLRXSA-N -1 0 247.338 3.296 20 0 BGADRM Cc1ccccc1N[C@@H]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000902051131 584517930 /nfs/dbraw/zinc/51/79/30/584517930.db2.gz GTDDMUSLIDSLCX-YNEHKIRRSA-N -1 0 247.338 3.296 20 0 BGADRM CC1(C(=O)[O-])CC(Nc2cccc(Cl)c2)C1 ZINC000902051411 584517690 /nfs/dbraw/zinc/51/76/90/584517690.db2.gz IUMUDAWWBRYSMN-UHFFFAOYSA-N -1 0 239.702 3.005 20 0 BGADRM Cc1ccccc1N[C@@H]1CC[C@@H](CC(=O)[O-])[C@H]1C ZINC000902051539 584517582 /nfs/dbraw/zinc/51/75/82/584517582.db2.gz LMZKYUOABPUFTI-MBNYWOFBSA-N -1 0 247.338 3.296 20 0 BGADRM Cc1ccccc1N[C@@H]1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC000902051540 584517939 /nfs/dbraw/zinc/51/79/39/584517939.db2.gz LMZKYUOABPUFTI-OUCADQQQSA-N -1 0 247.338 3.296 20 0 BGADRM Cc1ccccc1N[C@@H]1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC000902051541 584517598 /nfs/dbraw/zinc/51/75/98/584517598.db2.gz LMZKYUOABPUFTI-SGMGOOAPSA-N -1 0 247.338 3.296 20 0 BGADRM Cc1ccccc1N[C@@H]1CC[C@H](CC(=O)[O-])[C@H]1C ZINC000902051542 584517976 /nfs/dbraw/zinc/51/79/76/584517976.db2.gz LMZKYUOABPUFTI-YRGRVCCFSA-N -1 0 247.338 3.296 20 0 BGADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccccc1 ZINC000902051584 584517775 /nfs/dbraw/zinc/51/77/75/584517775.db2.gz NCZQYBIPUFUKBO-LLVKDONJSA-N -1 0 235.327 3.378 20 0 BGADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccccc1 ZINC000902051585 584517922 /nfs/dbraw/zinc/51/79/22/584517922.db2.gz NCZQYBIPUFUKBO-NSHDSACASA-N -1 0 235.327 3.378 20 0 BGADRM CC1(C(=O)[O-])CC(Nc2ccccc2Cl)C1 ZINC000902051710 584517712 /nfs/dbraw/zinc/51/77/12/584517712.db2.gz OAMCCQDCADHUCA-UHFFFAOYSA-N -1 0 239.702 3.005 20 0 BGADRM Cc1cccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)c1 ZINC000902051728 584517687 /nfs/dbraw/zinc/51/76/87/584517687.db2.gz OTDRGRXPZFBBAX-MBNYWOFBSA-N -1 0 247.338 3.296 20 0 BGADRM Cc1cccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@@H]2C)c1 ZINC000902051729 584517632 /nfs/dbraw/zinc/51/76/32/584517632.db2.gz OTDRGRXPZFBBAX-OUCADQQQSA-N -1 0 247.338 3.296 20 0 BGADRM Cc1cccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1 ZINC000902051730 584517630 /nfs/dbraw/zinc/51/76/30/584517630.db2.gz OTDRGRXPZFBBAX-SGMGOOAPSA-N -1 0 247.338 3.296 20 0 BGADRM Cc1cccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)c1 ZINC000902051731 584517888 /nfs/dbraw/zinc/51/78/88/584517888.db2.gz OTDRGRXPZFBBAX-YRGRVCCFSA-N -1 0 247.338 3.296 20 0 BGADRM Cc1cccc(N[C@@H]2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000902052228 584517858 /nfs/dbraw/zinc/51/78/58/584517858.db2.gz WFHHFHJUPKNJHY-BNOWGMLFSA-N -1 0 247.338 3.296 20 0 BGADRM Cc1cccc(N[C@@H]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000902052229 584517917 /nfs/dbraw/zinc/51/79/17/584517917.db2.gz WFHHFHJUPKNJHY-IACUBPJLSA-N -1 0 247.338 3.296 20 0 BGADRM Cc1cccc(N[C@@H]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000902052230 584517973 /nfs/dbraw/zinc/51/79/73/584517973.db2.gz WFHHFHJUPKNJHY-MRVWCRGKSA-N -1 0 247.338 3.296 20 0 BGADRM Cc1cccc(N[C@@H]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000902052231 584517704 /nfs/dbraw/zinc/51/77/04/584517704.db2.gz WFHHFHJUPKNJHY-YUTCNCBUSA-N -1 0 247.338 3.296 20 0 BGADRM CC(C)c1ccc(N[C@H](C)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000902052556 584517890 /nfs/dbraw/zinc/51/78/90/584517890.db2.gz BZBQPYQELJPPTK-DDTOSNHZSA-N -1 0 247.338 3.331 20 0 BGADRM CC(C)c1ccc(N[C@H](C)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000902052557 584517694 /nfs/dbraw/zinc/51/76/94/584517694.db2.gz BZBQPYQELJPPTK-HONMWMINSA-N -1 0 247.338 3.331 20 0 BGADRM CC(C)c1ccc(N[C@H](C)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000902052558 584517627 /nfs/dbraw/zinc/51/76/27/584517627.db2.gz BZBQPYQELJPPTK-LERXQTSPSA-N -1 0 247.338 3.331 20 0 BGADRM CC(C)c1ccc(N[C@H](C)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000902052559 584517959 /nfs/dbraw/zinc/51/79/59/584517959.db2.gz BZBQPYQELJPPTK-SWHYSGLUSA-N -1 0 247.338 3.331 20 0 BGADRM CC(C)c1cccc(N[C@H](C)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000902069758 584519388 /nfs/dbraw/zinc/51/93/88/584519388.db2.gz IUCHAQZQHFETGN-DDTOSNHZSA-N -1 0 247.338 3.331 20 0 BGADRM CC(C)c1cccc(N[C@H](C)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000902069759 584519429 /nfs/dbraw/zinc/51/94/29/584519429.db2.gz IUCHAQZQHFETGN-HONMWMINSA-N -1 0 247.338 3.331 20 0 BGADRM CC(C)c1cccc(N[C@H](C)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000902069760 584519413 /nfs/dbraw/zinc/51/94/13/584519413.db2.gz IUCHAQZQHFETGN-LERXQTSPSA-N -1 0 247.338 3.331 20 0 BGADRM CC(C)c1cccc(N[C@H](C)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000902069761 584519407 /nfs/dbraw/zinc/51/94/07/584519407.db2.gz IUCHAQZQHFETGN-SWHYSGLUSA-N -1 0 247.338 3.331 20 0 BGADRM CSc1ccc(NCC(C)C)cc1C(=O)[O-] ZINC000902567304 637307992 /nfs/dbraw/zinc/30/79/92/637307992.db2.gz JUDJOBGXNQUHMA-UHFFFAOYSA-N -1 0 239.340 3.175 20 0 BGADRM CC1(CNc2ccc(CCCC(=O)[O-])cc2)CC1 ZINC000904012138 584837822 /nfs/dbraw/zinc/83/78/22/584837822.db2.gz QFPNDXGQLUOZSA-UHFFFAOYSA-N -1 0 247.338 3.306 20 0 BGADRM C[C@@H](c1noc(-c2cccc(F)c2[O-])n1)C1CC1 ZINC000904028300 584838073 /nfs/dbraw/zinc/83/80/73/584838073.db2.gz ZUESEFWTGZATMF-SSDOTTSWSA-N -1 0 248.257 3.095 20 0 BGADRM C[C@H](c1noc(-c2cccc(F)c2[O-])n1)C1CC1 ZINC000904028301 584837861 /nfs/dbraw/zinc/83/78/61/584837861.db2.gz ZUESEFWTGZATMF-ZETCQYMHSA-N -1 0 248.257 3.095 20 0 BGADRM CC(C)Sc1ccccc1N[C@H](C)C(=O)[O-] ZINC000904201198 584851748 /nfs/dbraw/zinc/85/17/48/584851748.db2.gz YCDQNHCZMLIUJL-SECBINFHSA-N -1 0 239.340 3.072 20 0 BGADRM CC(C)Sc1ccccc1N[C@@H](C)C(=O)[O-] ZINC000904201199 584851747 /nfs/dbraw/zinc/85/17/47/584851747.db2.gz YCDQNHCZMLIUJL-VIFPVBQESA-N -1 0 239.340 3.072 20 0 BGADRM C[C@@H](Nc1cccc(C(F)F)c1Cl)C(=O)[O-] ZINC000904231238 584853985 /nfs/dbraw/zinc/85/39/85/584853985.db2.gz HBHHOMQKNYCPLD-RXMQYKEDSA-N -1 0 249.644 3.163 20 0 BGADRM C[C@H](Nc1cccc(C(F)F)c1Cl)C(=O)[O-] ZINC000904231239 584854109 /nfs/dbraw/zinc/85/41/09/584854109.db2.gz HBHHOMQKNYCPLD-YFKPBYRVSA-N -1 0 249.644 3.163 20 0 BGADRM CC[C@@H](C)c1cccc(N[C@H](C)C(=O)[O-])c1 ZINC000904253083 584858498 /nfs/dbraw/zinc/85/84/98/584858498.db2.gz LDSUKHIMGJACDD-NXEZZACHSA-N -1 0 221.300 3.085 20 0 BGADRM CC[C@H](C)c1cccc(N[C@@H](C)C(=O)[O-])c1 ZINC000904253084 584858417 /nfs/dbraw/zinc/85/84/17/584858417.db2.gz LDSUKHIMGJACDD-UWVGGRQHSA-N -1 0 221.300 3.085 20 0 BGADRM CC[C@H](C)c1cccc(N[C@H](C)C(=O)[O-])c1 ZINC000904253085 584858523 /nfs/dbraw/zinc/85/85/23/584858523.db2.gz LDSUKHIMGJACDD-VHSXEESVSA-N -1 0 221.300 3.085 20 0 BGADRM CC[C@@H](C)c1cccc(N[C@@H](C)C(=O)[O-])c1 ZINC000904253086 584858617 /nfs/dbraw/zinc/85/86/17/584858617.db2.gz LDSUKHIMGJACDD-ZJUUUORDSA-N -1 0 221.300 3.085 20 0 BGADRM [O-]c1cc(-c2cnc(C3CC3)o2)cc(F)c1F ZINC000904819468 637484348 /nfs/dbraw/zinc/48/43/48/637484348.db2.gz OZDYQGRIMZKKOO-UHFFFAOYSA-N -1 0 237.205 3.203 20 0 BGADRM Cc1[n-]n(-c2ccc(Cl)c(C)c2)c(=O)c1C ZINC000905021684 637572349 /nfs/dbraw/zinc/57/23/49/637572349.db2.gz ABJLEDMTKIZBHM-MRVPVSSYSA-N -1 0 236.702 3.007 20 0 BGADRM Cc1[n-]n(-c2ccc(Cl)c(C)c2)c(=O)c1C ZINC000905021685 637571664 /nfs/dbraw/zinc/57/16/64/637571664.db2.gz ABJLEDMTKIZBHM-QMMMGPOBSA-N -1 0 236.702 3.007 20 0 BGADRM Cc1cc(-n2[n-]c(C3CC3)cc2=O)ccc1Cl ZINC000905023446 637572087 /nfs/dbraw/zinc/57/20/87/637572087.db2.gz JNVJMKALIRCEOK-UHFFFAOYSA-N -1 0 248.713 3.151 20 0 BGADRM Cc1cc(-n2[n-]c3c(c2=O)CCC3)ccc1Cl ZINC000905026074 637574464 /nfs/dbraw/zinc/57/44/64/637574464.db2.gz UIQATABTLSJUGM-JTQLQIEISA-N -1 0 248.713 3.151 20 0 BGADRM Cc1cc(-n2[n-]c3c(c2=O)CCC3)ccc1Cl ZINC000905026079 637573718 /nfs/dbraw/zinc/57/37/18/637573718.db2.gz UIQATABTLSJUGM-SNVBAGLBSA-N -1 0 248.713 3.151 20 0 BGADRM Cc1noc(C)c1-c1csc(C(=O)[O-])c1C ZINC000906237057 638121239 /nfs/dbraw/zinc/12/12/39/638121239.db2.gz FLFDBMXHOHAHOP-UHFFFAOYSA-N -1 0 237.280 3.027 20 0 BGADRM Cc1ccc(-c2cn(C(C)C)nc2C(=O)[O-])cc1 ZINC000906239340 638122145 /nfs/dbraw/zinc/12/21/45/638122145.db2.gz RXUVYFWFELRHRD-UHFFFAOYSA-N -1 0 244.294 3.138 20 0 BGADRM Cc1ccc(-c2cc(C)sc2CC(=O)[O-])o1 ZINC000906242333 638122573 /nfs/dbraw/zinc/12/25/73/638122573.db2.gz CNOTUMXZZLZMIS-UHFFFAOYSA-N -1 0 236.292 3.252 20 0 BGADRM Cc1cccc(-c2cn(C(C)C)nc2C(=O)[O-])c1 ZINC000906243356 711813593 /nfs/dbraw/zinc/81/35/93/711813593.db2.gz TVKRPFQYKYVGIL-UHFFFAOYSA-N -1 0 244.294 3.138 20 0 BGADRM Cc1cc(-c2cocc2C)c(CC(=O)[O-])s1 ZINC000906243799 711813661 /nfs/dbraw/zinc/81/36/61/711813661.db2.gz BGVBMXLLGPDUQX-UHFFFAOYSA-N -1 0 236.292 3.252 20 0 BGADRM Cc1ccccc1-c1cn(C(C)C)nc1C(=O)[O-] ZINC000906244481 711813778 /nfs/dbraw/zinc/81/37/78/711813778.db2.gz YCGJJAQKJCVVHA-UHFFFAOYSA-N -1 0 244.294 3.138 20 0 BGADRM Cc1coc(-c2cc(C)sc2CC(=O)[O-])c1 ZINC000906251110 638116692 /nfs/dbraw/zinc/11/66/92/638116692.db2.gz PPSQGNQQMSRLJM-UHFFFAOYSA-N -1 0 236.292 3.252 20 0 BGADRM C/C(=C(\F)C(=O)[N-]OC1CCCCC1)C1CC1 ZINC000907543473 638400443 /nfs/dbraw/zinc/40/04/43/638400443.db2.gz KDXCRIQSNWTWGJ-FMIVXFBMSA-N -1 0 241.306 3.020 20 0 BGADRM C/C(=C(/F)C(=O)[N-]OC1CCCCC1)C1CC1 ZINC000907543726 638400450 /nfs/dbraw/zinc/40/04/50/638400450.db2.gz KDXCRIQSNWTWGJ-XFXZXTDPSA-N -1 0 241.306 3.020 20 0 BGADRM CCC(C)(CC)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000908672963 639049601 /nfs/dbraw/zinc/04/96/01/639049601.db2.gz JTWPSWZHRGHQSZ-UHFFFAOYSA-N -1 0 249.310 3.150 20 0 BGADRM CC/C(C)=C(/C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000908674300 639050032 /nfs/dbraw/zinc/05/00/32/639050032.db2.gz MMPRPDKEYIEJTQ-KTKRTIGZSA-N -1 0 247.294 3.070 20 0 BGADRM CC/C(C)=C(\C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000908674302 639050082 /nfs/dbraw/zinc/05/00/82/639050082.db2.gz MMPRPDKEYIEJTQ-MDZDMXLPSA-N -1 0 247.294 3.070 20 0 BGADRM CC/C(C)=C(/C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000909081199 639138026 /nfs/dbraw/zinc/13/80/26/639138026.db2.gz BVHGMPLFGQWXCQ-KTKRTIGZSA-N -1 0 247.294 3.070 20 0 BGADRM CC/C(C)=C(\C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000909081200 639137842 /nfs/dbraw/zinc/13/78/42/639137842.db2.gz BVHGMPLFGQWXCQ-MDZDMXLPSA-N -1 0 247.294 3.070 20 0 BGADRM CCC(C)(CC)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000909083568 639137801 /nfs/dbraw/zinc/13/78/01/639137801.db2.gz VZCKBEURTUANAH-UHFFFAOYSA-N -1 0 249.310 3.150 20 0 BGADRM CC(C)CCC(=O)Nc1cc(O)c(F)cc1F ZINC000909976358 639296412 /nfs/dbraw/zinc/29/64/12/639296412.db2.gz YUIVQKGHQAIAGA-UHFFFAOYSA-N -1 0 243.253 3.045 20 0 BGADRM CCCCC(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC000910963444 639545156 /nfs/dbraw/zinc/54/51/56/639545156.db2.gz ZTHBJOUPKNZKRW-UHFFFAOYSA-N -1 0 249.310 3.076 20 0 BGADRM CC(C)CCC(=O)Nc1cc(F)cc(F)c1O ZINC000910979635 639554231 /nfs/dbraw/zinc/55/42/31/639554231.db2.gz JVCPJYZTCWCWLV-UHFFFAOYSA-N -1 0 243.253 3.045 20 0 BGADRM CCC(C)(C)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC000911069708 639572782 /nfs/dbraw/zinc/57/27/82/639572782.db2.gz BCRWQMDBAHOEFR-UHFFFAOYSA-N -1 0 249.310 3.068 20 0 BGADRM CC(C)=CCOC(=O)c1ccc([O-])c(Cl)c1 ZINC000916608432 641957704 /nfs/dbraw/zinc/95/77/04/641957704.db2.gz QECVPOUWTQBALQ-UHFFFAOYSA-N -1 0 240.686 3.169 20 0 BGADRM CCC/C(C)=C/C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000920219525 642457012 /nfs/dbraw/zinc/45/70/12/642457012.db2.gz NBWZWBWEPURVSB-CSKARUKUSA-N -1 0 247.294 3.070 20 0 BGADRM CCC/C(C)=C\C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000920219528 642456983 /nfs/dbraw/zinc/45/69/83/642456983.db2.gz NBWZWBWEPURVSB-NTMALXAHSA-N -1 0 247.294 3.070 20 0 BGADRM CC(C)CCOC(=O)c1ccc([O-])c(Cl)c1 ZINC000922495372 644003375 /nfs/dbraw/zinc/00/33/75/644003375.db2.gz GQSPMDWDNMIBBP-UHFFFAOYSA-N -1 0 242.702 3.249 20 0 BGADRM