smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+](Cc1cc(F)ccc1O)CC1CC1 ZINC000180148940 347015298 /nfs/dbraw/zinc/01/52/98/347015298.db2.gz VQJLNLJWNCDQQT-UHFFFAOYSA-N 1 1 223.291 2.763 20 10 BFCDMO CC(C)[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC000132618216 187286735 /nfs/dbraw/zinc/28/67/35/187286735.db2.gz HSSJGPGZZGWHQW-NSHDSACASA-N 1 1 207.317 2.869 20 10 BFCDMO CC[N@H+](Cc1ccccc1O)CC(C)C ZINC000132532988 344303670 /nfs/dbraw/zinc/30/36/70/344303670.db2.gz BDSBHEOSHHNNGP-UHFFFAOYSA-N 1 1 207.317 2.870 20 10 BFCDMO CC[N@@H+](Cc1cccc(OC)c1O)C(C)C ZINC000132570284 345336222 /nfs/dbraw/zinc/33/62/22/345336222.db2.gz HXWJCOUIJKUDFZ-UHFFFAOYSA-N 1 1 223.316 2.631 20 10 BFCDMO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCCO2)c1O ZINC000124569480 179066975 /nfs/dbraw/zinc/06/69/75/179066975.db2.gz VGXADUDSFBAOHB-AWEZNQCLSA-N 1 1 249.354 2.702 20 10 BFCDMO CC[N@H+](C)Cc1cccc(Br)c1O ZINC000132543157 371857193 /nfs/dbraw/zinc/85/71/93/371857193.db2.gz NXLGVCJFTWJYKU-UHFFFAOYSA-N 1 1 244.132 2.606 20 10 BFCDMO CC[N@@H+](C)Cc1cccc(Br)c1O ZINC000132543157 371857199 /nfs/dbraw/zinc/85/71/99/371857199.db2.gz NXLGVCJFTWJYKU-UHFFFAOYSA-N 1 1 244.132 2.606 20 10 BFCDMO OCC[N@@H+](Cc1ccccc1O)C1CCCCC1 ZINC000267162650 183070786 /nfs/dbraw/zinc/07/07/86/183070786.db2.gz QYJHBDUYNCHPBH-UHFFFAOYSA-N 1 1 249.354 2.519 20 10 BFCDMO CCC[N@@H+](CC)Cc1cccc(C)c1O ZINC000162804415 169129729 /nfs/dbraw/zinc/12/97/29/169129729.db2.gz OJCQQNXULBUBDW-UHFFFAOYSA-N 1 1 207.317 2.933 20 10 BFCDMO Oc1ccccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000378492356 183302638 /nfs/dbraw/zinc/30/26/38/183302638.db2.gz GYOZXQRMXKFSOU-CYBMUJFWSA-N 1 1 243.306 2.975 20 10 BFCDMO CSCCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000068998303 384026754 /nfs/dbraw/zinc/02/67/54/384026754.db2.gz ZBCQBHYZFKDXOK-VIFPVBQESA-N 1 1 243.347 2.935 20 10 BFCDMO CC[C@@H](C)C[N@@H+](C)Cc1cc(OC)ccc1O ZINC000132088922 384213705 /nfs/dbraw/zinc/21/37/05/384213705.db2.gz APARGWMHEFCSFC-LLVKDONJSA-N 1 1 237.343 2.879 20 10 BFCDMO COC[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000093337999 384229267 /nfs/dbraw/zinc/22/92/67/384229267.db2.gz FQLNXSBHPRLLLF-CYBMUJFWSA-N 1 1 249.354 2.559 20 10 BFCDMO CCC[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)CCO1 ZINC000093508875 384245747 /nfs/dbraw/zinc/24/57/47/384245747.db2.gz OUAOMMYCLYZHQC-CQSZACIVSA-N 1 1 249.354 2.702 20 10 BFCDMO CC[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000096810802 384480891 /nfs/dbraw/zinc/48/08/91/384480891.db2.gz YCKKGMQEJBCXSG-UHFFFAOYSA-N 1 1 215.296 2.997 20 10 BFCDMO CC[C@H](COC)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000079735193 384511164 /nfs/dbraw/zinc/51/11/64/384511164.db2.gz ANRLFBVCTAROEP-GXSJLCMTSA-N 1 1 241.306 2.607 20 10 BFCDMO COc1cc(Cl)cc(C[N@@H+](C)C2CC2)c1O ZINC000184679425 384636737 /nfs/dbraw/zinc/63/67/37/384636737.db2.gz HWFQZVIJQWGAES-UHFFFAOYSA-N 1 1 241.718 2.648 20 10 BFCDMO COc1cc(Cl)cc(C[N@@H+](C)C(C)C)c1O ZINC000129945282 385204852 /nfs/dbraw/zinc/20/48/52/385204852.db2.gz UHCCZNIHYIEKPM-UHFFFAOYSA-N 1 1 243.734 2.894 20 10 BFCDMO Cc1ccc(O)c(C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000130608511 385267926 /nfs/dbraw/zinc/26/79/26/385267926.db2.gz LZYQJZADDGIRTK-GFCCVEGCSA-N 1 1 237.368 2.638 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+](C)C[C@H]2CCCOC2)c1 ZINC000156029034 385430719 /nfs/dbraw/zinc/43/07/19/385430719.db2.gz LBFPUAXWEOCTKE-CYBMUJFWSA-N 1 1 249.354 2.559 20 10 BFCDMO CO[C@H]1CC[N@@H+](Cc2cccc(C)c2O)[C@@H](C)C1 ZINC000282226418 385743742 /nfs/dbraw/zinc/74/37/42/385743742.db2.gz IINGUZVBHYRTFZ-JSGCOSHPSA-N 1 1 249.354 2.700 20 10 BFCDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1cn[nH]c1 ZINC000230669540 385747299 /nfs/dbraw/zinc/74/72/99/385747299.db2.gz TTZBIABPUWXTRO-RKDXNWHRSA-N 1 1 249.289 2.666 20 10 BFCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cn[nH]c1 ZINC000230669534 385748323 /nfs/dbraw/zinc/74/83/23/385748323.db2.gz TTZBIABPUWXTRO-BDAKNGLRSA-N 1 1 249.289 2.666 20 10 BFCDMO CCOc1ccc(O)c(C[N@@H+](C)CC(C)C)c1 ZINC000271063753 385780984 /nfs/dbraw/zinc/78/09/84/385780984.db2.gz ZAAZNXRCUZGHJE-UHFFFAOYSA-N 1 1 237.343 2.879 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2CCC=C(F)C2)c1 ZINC000274441815 386105429 /nfs/dbraw/zinc/10/54/29/386105429.db2.gz BZHYIFQLTMWAKE-UHFFFAOYSA-N 1 1 221.275 2.760 20 10 BFCDMO Cc1ccc(O)c(C[N@H+]2CCC=C(F)C2)c1 ZINC000274441815 386105432 /nfs/dbraw/zinc/10/54/32/386105432.db2.gz BZHYIFQLTMWAKE-UHFFFAOYSA-N 1 1 221.275 2.760 20 10 BFCDMO C[C@]1(F)CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000295934466 386108059 /nfs/dbraw/zinc/10/80/59/386108059.db2.gz FXFLEGPOBFGTOA-ZDUSSCGKSA-N 1 1 241.281 2.855 20 10 BFCDMO C[C@]1(F)CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000295934466 386108066 /nfs/dbraw/zinc/10/80/66/386108066.db2.gz FXFLEGPOBFGTOA-ZDUSSCGKSA-N 1 1 241.281 2.855 20 10 BFCDMO CO[C@H](C)C[N@@H+](C)Cc1c(O)cccc1Cl ZINC000289969682 386377433 /nfs/dbraw/zinc/37/74/33/386377433.db2.gz ZIPTWDSQJKAEBW-SECBINFHSA-N 1 1 243.734 2.512 20 10 BFCDMO CCOc1cccc(C[N@H+]2CC[C@H]2CC)c1O ZINC000292876446 386743199 /nfs/dbraw/zinc/74/31/99/386743199.db2.gz XAEGDYLOAYIKCY-GFCCVEGCSA-N 1 1 235.327 2.775 20 10 BFCDMO CC[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)OC ZINC000290150456 386827995 /nfs/dbraw/zinc/82/79/95/386827995.db2.gz LFKDZSHEJVOJEG-ONGXEEELSA-N 1 1 241.306 2.607 20 10 BFCDMO CC[C@@H]([NH2+]CC1CC1)c1ccc(F)cc1O ZINC000285882917 387288992 /nfs/dbraw/zinc/28/89/92/387288992.db2.gz ZONBFGZWJNWWHM-GFCCVEGCSA-N 1 1 223.291 2.982 20 10 BFCDMO CC[C@H]([NH2+]CC1CC1)c1ccc(F)cc1O ZINC000285882921 387289778 /nfs/dbraw/zinc/28/97/78/387289778.db2.gz ZONBFGZWJNWWHM-LBPRGKRZSA-N 1 1 223.291 2.982 20 10 BFCDMO CC1=CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000281797883 168099854 /nfs/dbraw/zinc/09/98/54/168099854.db2.gz MGHOLWAKUVDWLC-UHFFFAOYSA-N 1 1 221.275 2.683 20 10 BFCDMO CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062744699 171346423 /nfs/dbraw/zinc/34/64/23/171346423.db2.gz MJHYWTMBOQTVOU-IUCAKERBSA-N 1 1 211.280 2.980 20 10 BFCDMO COc1cccc(C[N@@H+]2CC=C(C)CC2)c1O ZINC000271199863 175257399 /nfs/dbraw/zinc/25/73/99/175257399.db2.gz SYKCBHGIYGPICJ-UHFFFAOYSA-N 1 1 233.311 2.553 20 10 BFCDMO C[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000124280388 176108014 /nfs/dbraw/zinc/10/80/14/176108014.db2.gz PNKJFSCUMDIWLG-GFCCVEGCSA-N 1 1 218.344 2.737 20 10 BFCDMO C[C@@H]1CC[N@H+](Cc2cccc(F)c2O)[C@@H]1C ZINC000272534273 176176323 /nfs/dbraw/zinc/17/63/23/176176323.db2.gz ZXZOYVNTKIUZEZ-NXEZZACHSA-N 1 1 223.291 2.762 20 10 BFCDMO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)[C@@H]1C ZINC000272534273 176176325 /nfs/dbraw/zinc/17/63/25/176176325.db2.gz ZXZOYVNTKIUZEZ-NXEZZACHSA-N 1 1 223.291 2.762 20 10 BFCDMO COc1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)c(O)cc1C ZINC000853575153 588749376 /nfs/dbraw/zinc/74/93/76/588749376.db2.gz AZSMTZMHNFUICQ-RYUDHWBXSA-N 1 1 247.338 2.551 20 10 BFCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000725777890 582848366 /nfs/dbraw/zinc/84/83/66/582848366.db2.gz ITVCIGKDSNKMHI-LLVKDONJSA-N 1 1 242.322 2.782 20 10 BFCDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000725779848 582848411 /nfs/dbraw/zinc/84/84/11/582848411.db2.gz RYULCLRNGDDDGX-LLVKDONJSA-N 1 1 231.339 2.723 20 10 BFCDMO CCC[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840909355 583112993 /nfs/dbraw/zinc/11/29/93/583112993.db2.gz AFELSVKLLLYOMW-UHFFFAOYSA-N 1 1 220.360 2.903 20 10 BFCDMO CO[C@H](CC(C)C)C[N@H+]1Cc2cccc(O)c2C1 ZINC000877702805 583343946 /nfs/dbraw/zinc/34/39/46/583343946.db2.gz IGYKDPBFMPAALC-CYBMUJFWSA-N 1 1 249.354 2.769 20 10 BFCDMO COCC1(C[N@H+]2Cc3cccc(O)c3C2)CCC1 ZINC000877703041 583344046 /nfs/dbraw/zinc/34/40/46/583344046.db2.gz PEEVROURVKSDNG-UHFFFAOYSA-N 1 1 247.338 2.525 20 10 BFCDMO CN(C)c1ccc(C[N@@H+](C)C2CCC2)cc1F ZINC000127451310 583416985 /nfs/dbraw/zinc/41/69/85/583416985.db2.gz RNVHVXHWUSZYIO-UHFFFAOYSA-N 1 1 236.334 2.876 20 10 BFCDMO C[C@H]1C[C@H](C)[NH+]1Cc1cc(F)cc(F)c1O ZINC000894600184 583490688 /nfs/dbraw/zinc/49/06/88/583490688.db2.gz FSORDYHLEFLEFJ-YUMQZZPRSA-N 1 1 227.254 2.653 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000894860093 583533438 /nfs/dbraw/zinc/53/34/38/583533438.db2.gz AMIPFWJMYIWZOI-QWRGUYRKSA-N 1 1 205.301 2.541 20 10 BFCDMO CCc1cccc(C[N@H+]2C[C@H](C)[C@H]2C)c1O ZINC000894862205 583535314 /nfs/dbraw/zinc/53/53/14/583535314.db2.gz UAYFZEGFMLSFSF-WDEREUQCSA-N 1 1 219.328 2.795 20 10 BFCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)CCCF ZINC000895896393 583743430 /nfs/dbraw/zinc/74/34/30/583743430.db2.gz SVOQAQCAAQCXDL-UHFFFAOYSA-N 1 1 238.350 2.852 20 10 BFCDMO Oc1cccc(F)c1C[NH2+]C1CCCC1 ZINC000896636789 583819167 /nfs/dbraw/zinc/81/91/67/583819167.db2.gz HHUYRWBPANNROE-UHFFFAOYSA-N 1 1 209.264 2.564 20 10 BFCDMO CSC1(C[NH2+]Cc2c(O)cccc2F)CC1 ZINC000896636883 583819227 /nfs/dbraw/zinc/81/92/27/583819227.db2.gz GGEPDVYQACDTOE-UHFFFAOYSA-N 1 1 241.331 2.517 20 10 BFCDMO Oc1cccc(F)c1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000896637187 583819241 /nfs/dbraw/zinc/81/92/41/583819241.db2.gz IQUNALIUOFEKJM-GBIKHYSHSA-N 1 1 235.302 2.810 20 10 BFCDMO C[C@H]([NH2+]Cc1c(O)cccc1F)[C@@H]1CC1(F)F ZINC000896638938 583820021 /nfs/dbraw/zinc/82/00/21/583820021.db2.gz RZLWMXVTNMEXSK-CBAPKCEASA-N 1 1 245.244 2.665 20 10 BFCDMO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccon2)c1 ZINC000148720515 584035416 /nfs/dbraw/zinc/03/54/16/584035416.db2.gz DEIBOKFRWUIANS-SNVBAGLBSA-N 1 1 232.283 2.539 20 10 BFCDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000902634386 584648164 /nfs/dbraw/zinc/64/81/64/584648164.db2.gz HHZAQVHOHKJBPS-UKRRQHHQSA-N 1 1 249.354 2.618 20 10 BFCDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000902634385 584648262 /nfs/dbraw/zinc/64/82/62/584648262.db2.gz HHZAQVHOHKJBPS-HIFRSBDPSA-N 1 1 249.354 2.618 20 10 BFCDMO CCc1cnc(C[N@H+](C)Cc2ccccc2O)o1 ZINC000744401221 585150024 /nfs/dbraw/zinc/15/00/24/585150024.db2.gz AZLUXNRXHXZJSY-UHFFFAOYSA-N 1 1 246.310 2.575 20 10 BFCDMO CCc1cnc(C[N@@H+](C)Cc2ccccc2O)o1 ZINC000744401221 585150025 /nfs/dbraw/zinc/15/00/25/585150025.db2.gz AZLUXNRXHXZJSY-UHFFFAOYSA-N 1 1 246.310 2.575 20 10 BFCDMO C[N@@H+](CC[C@@H]1CCCCO1)Cc1ccccc1O ZINC000754063157 585277092 /nfs/dbraw/zinc/27/70/92/585277092.db2.gz BCOQJENNMLUEKH-AWEZNQCLSA-N 1 1 249.354 2.783 20 10 BFCDMO COc1cc(C)cc(C[N@H+]2C[C@H](C)[C@H](C)C2)c1O ZINC000754736124 585290166 /nfs/dbraw/zinc/29/01/66/585290166.db2.gz GZGFUEMBDWMHNP-TXEJJXNPSA-N 1 1 249.354 2.797 20 10 BFCDMO COc1cc(C)cc(C[N@@H+]2CC=C(C)CC2)c1O ZINC000755768346 585306344 /nfs/dbraw/zinc/30/63/44/585306344.db2.gz PGEBJPJIXFCPNO-UHFFFAOYSA-N 1 1 247.338 2.861 20 10 BFCDMO Cc1ccc([C@@H](C)[NH2+]Cc2cocn2)c(O)c1C ZINC000756830929 585324013 /nfs/dbraw/zinc/32/40/13/585324013.db2.gz IPTBJKXLTKOFHU-LLVKDONJSA-N 1 1 246.310 2.848 20 10 BFCDMO CCC[N@@H+](CC)Cc1cc(OC)c(C)cc1O ZINC000768446435 585538898 /nfs/dbraw/zinc/53/88/98/585538898.db2.gz XMOHCRDWKOTVBJ-UHFFFAOYSA-N 1 1 237.343 2.941 20 10 BFCDMO COc1cccc(O)c1C[N@H+]1CCC2(CCC2)C1 ZINC000769444886 585556909 /nfs/dbraw/zinc/55/69/09/585556909.db2.gz GNYZVHHWDNVHNR-UHFFFAOYSA-N 1 1 247.338 2.777 20 10 BFCDMO CCOc1ccc(C[N@H+]2CCC2(C)C)c(O)c1 ZINC000769446380 585556996 /nfs/dbraw/zinc/55/69/96/585556996.db2.gz NDSSJPGOFPGSOC-UHFFFAOYSA-N 1 1 235.327 2.775 20 10 BFCDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000769471563 585558068 /nfs/dbraw/zinc/55/80/68/585558068.db2.gz VRYPVWMQGKMQQY-CHWSQXEVSA-N 1 1 232.371 2.983 20 10 BFCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000770283854 585572665 /nfs/dbraw/zinc/57/26/65/585572665.db2.gz NRSNMEMVDPSDIK-MNOVXSKESA-N 1 1 235.327 2.631 20 10 BFCDMO CCN(C)c1ccc(C[N@@H+]2CC=CCC2)cc1 ZINC000773829326 585644535 /nfs/dbraw/zinc/64/45/35/585644535.db2.gz BATOFMPHCNBAKA-UHFFFAOYSA-N 1 1 230.355 2.905 20 10 BFCDMO CC[N@H+](Cc1cccc(C)c1O)C[C@H]1CCOC1 ZINC000775654159 585682254 /nfs/dbraw/zinc/68/22/54/585682254.db2.gz UBEMGTLRLRGLSI-CYBMUJFWSA-N 1 1 249.354 2.559 20 10 BFCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccoc2)c1 ZINC000775662034 585682741 /nfs/dbraw/zinc/68/27/41/585682741.db2.gz COJAGAGZNODOIQ-UHFFFAOYSA-N 1 1 247.294 2.626 20 10 BFCDMO C[C@H]1C[C@H](C[N@@H+](C)Cc2ccccc2O)CCO1 ZINC000778999212 585743763 /nfs/dbraw/zinc/74/37/63/585743763.db2.gz AWNHICMLUZOKQE-QWHCGFSZSA-N 1 1 249.354 2.639 20 10 BFCDMO C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2O)CCO1 ZINC000778999211 585743822 /nfs/dbraw/zinc/74/38/22/585743822.db2.gz AWNHICMLUZOKQE-OLZOCXBDSA-N 1 1 249.354 2.639 20 10 BFCDMO Oc1cccc(Cl)c1C[N@@H+]1CC=CCC1 ZINC000779160382 585746260 /nfs/dbraw/zinc/74/62/60/585746260.db2.gz VDFDYQOWWXXOBZ-UHFFFAOYSA-N 1 1 223.703 2.808 20 10 BFCDMO CCOc1cccc(C[N@@H+]2CC=CCC2)c1O ZINC000779159928 585746355 /nfs/dbraw/zinc/74/63/55/585746355.db2.gz SGRMEMDCXGGHNG-UHFFFAOYSA-N 1 1 233.311 2.553 20 10 BFCDMO CN(C)c1ccc(C[N@@H+]2CC=CCC2)cc1F ZINC000779159688 585746392 /nfs/dbraw/zinc/74/63/92/585746392.db2.gz RCPNJGZOBDIFKI-UHFFFAOYSA-N 1 1 234.318 2.654 20 10 BFCDMO CCOc1ccc(C[N@@H+]2CC=CCC2)c(O)c1 ZINC000779159680 585746435 /nfs/dbraw/zinc/74/64/35/585746435.db2.gz QQQGGQCNJOREIX-UHFFFAOYSA-N 1 1 233.311 2.553 20 10 BFCDMO COC(C)(C)CC[N@@H+](C)Cc1ccccc1O ZINC000787264612 585903884 /nfs/dbraw/zinc/90/38/84/585903884.db2.gz NJQJQLQECNMDSK-UHFFFAOYSA-N 1 1 237.343 2.639 20 10 BFCDMO COC1(C[N@@H+](C)Cc2ccccc2O)CCCC1 ZINC000792167695 585997001 /nfs/dbraw/zinc/99/70/01/585997001.db2.gz ZQACFJSDDWKTNV-UHFFFAOYSA-N 1 1 249.354 2.783 20 10 BFCDMO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H]2C)ccc1N(C)C ZINC000815162792 586671767 /nfs/dbraw/zinc/67/17/67/586671767.db2.gz JHZRLCJZOFWLFH-CHWSQXEVSA-N 1 1 232.371 2.901 20 10 BFCDMO CC[C@H](N[C@H](C)[C@@H](C)[NH3+])c1ccc(N(C)C)cc1 ZINC000817977435 586861284 /nfs/dbraw/zinc/86/12/84/586861284.db2.gz KGFZWRLPTOEPAI-JMSVASOKSA-N 1 1 249.402 2.529 20 10 BFCDMO CC[C@H]([NH2+][C@H](C)[C@@H](C)N)c1ccc(N(C)C)cc1 ZINC000817977435 586861287 /nfs/dbraw/zinc/86/12/87/586861287.db2.gz KGFZWRLPTOEPAI-JMSVASOKSA-N 1 1 249.402 2.529 20 10 BFCDMO CC[C@@H]([NH2+]Cc1cc(OC)ccc1O)C(F)F ZINC000824510166 587272643 /nfs/dbraw/zinc/27/26/43/587272643.db2.gz SCJFURVMLXIMDL-SNVBAGLBSA-N 1 1 245.269 2.534 20 10 BFCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](F)C2)cc1C ZINC000824571874 587277273 /nfs/dbraw/zinc/27/72/73/587277273.db2.gz PLZSDOMAWKBFLU-LBPRGKRZSA-N 1 1 223.291 2.553 20 10 BFCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000824650120 587280646 /nfs/dbraw/zinc/28/06/46/587280646.db2.gz JBJCEMNPLXKISA-LBPRGKRZSA-N 1 1 221.275 2.516 20 10 BFCDMO Oc1c(F)cccc1C[N@H+]1CC[C@H]1C1CC1 ZINC000824650120 587280647 /nfs/dbraw/zinc/28/06/47/587280647.db2.gz JBJCEMNPLXKISA-LBPRGKRZSA-N 1 1 221.275 2.516 20 10 BFCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]2C2CC2)cc1F ZINC000824649749 587281053 /nfs/dbraw/zinc/28/10/53/587281053.db2.gz FLZOVPVCSFHZKH-AWEZNQCLSA-N 1 1 248.345 2.876 20 10 BFCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@H]1C1CC1 ZINC000824650111 587281085 /nfs/dbraw/zinc/28/10/85/587281085.db2.gz IQYIKKPDEBGJCR-LBPRGKRZSA-N 1 1 221.275 2.516 20 10 BFCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H]2C2CC2)c1 ZINC000824650138 587281118 /nfs/dbraw/zinc/28/11/18/587281118.db2.gz JLKYYVSJCCWVPH-CQSZACIVSA-N 1 1 247.338 2.775 20 10 BFCDMO CCc1cccc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1O ZINC000827506537 587384854 /nfs/dbraw/zinc/38/48/54/587384854.db2.gz ILAOQVRCQXEORH-JSGCOSHPSA-N 1 1 231.339 2.796 20 10 BFCDMO COc1cccc(O)c1C[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000841891293 587982055 /nfs/dbraw/zinc/98/20/55/587982055.db2.gz XRYJCKRLWZMUTK-TUAOUCFPSA-N 1 1 249.354 2.877 20 10 BFCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)CC2(CCC2)O1 ZINC000843435831 588109604 /nfs/dbraw/zinc/10/96/04/588109604.db2.gz UKOWULQAAOYWLO-GFCCVEGCSA-N 1 1 247.338 2.536 20 10 BFCDMO CC[N@@H+](CCSC)Cc1ccccc1O ZINC000843437391 588110232 /nfs/dbraw/zinc/11/02/32/588110232.db2.gz GQOVKRDDYLUHGF-UHFFFAOYSA-N 1 1 225.357 2.577 20 10 BFCDMO CCc1cccc(C[N@@H+](C)C2CCC2)c1O ZINC000848885860 588416717 /nfs/dbraw/zinc/41/67/17/588416717.db2.gz BAZRWTHLTBZOJA-UHFFFAOYSA-N 1 1 219.328 2.939 20 10 BFCDMO Oc1ccccc1Cn1c[nH+]c2c1CCCC2 ZINC000862431116 589212508 /nfs/dbraw/zinc/21/25/08/589212508.db2.gz JORZNINJQAZEST-UHFFFAOYSA-N 1 1 228.295 2.516 20 10 BFCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000862442396 589213154 /nfs/dbraw/zinc/21/31/54/589213154.db2.gz ZJDGLAPSCDXQPY-GASCZTMLSA-N 1 1 244.382 2.985 20 10 BFCDMO C/C=C\C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000862530828 589218159 /nfs/dbraw/zinc/21/81/59/589218159.db2.gz UJNZPXQMRFLVSN-IHWYPQMZSA-N 1 1 229.682 2.850 20 10 BFCDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C)cc1O ZINC000876535824 590211348 /nfs/dbraw/zinc/21/13/48/590211348.db2.gz QPRWKGNVHLDAHT-OCCSQVGLSA-N 1 1 249.354 2.700 20 10 BFCDMO CC[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1O ZINC000876582048 590218953 /nfs/dbraw/zinc/21/89/53/590218953.db2.gz JEGKWIAXZXFAFL-LLVKDONJSA-N 1 1 207.317 2.931 20 10 BFCDMO CC[N@H+](Cc1c(C)cccc1O)C[C@@H]1CCOC1 ZINC000876597414 590220283 /nfs/dbraw/zinc/22/02/83/590220283.db2.gz YMEAWOFNYRDFGS-ZDUSSCGKSA-N 1 1 249.354 2.559 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000876634710 590224098 /nfs/dbraw/zinc/22/40/98/590224098.db2.gz ZDUWBEWEOOPURJ-ZDUSSCGKSA-N 1 1 249.354 2.702 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](C)C1 ZINC000876636497 590224168 /nfs/dbraw/zinc/22/41/68/590224168.db2.gz IKHZWEDRHOIHSK-SNVBAGLBSA-N 1 1 205.301 2.542 20 10 BFCDMO Cc1ccc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c(O)c1 ZINC000876637651 590224710 /nfs/dbraw/zinc/22/47/10/590224710.db2.gz YCNAKYQXSZCLMR-GFCCVEGCSA-N 1 1 249.354 2.700 20 10 BFCDMO CC[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)C[C@@H](C)O1 ZINC000876638636 590224848 /nfs/dbraw/zinc/22/48/48/590224848.db2.gz DHJPULZRIBUQIT-TZMCWYRMSA-N 1 1 249.354 2.700 20 10 BFCDMO Cc1ccc(C[N@@H+](C)C[C@H]2CCCOC2)c(O)c1 ZINC000876695907 590231811 /nfs/dbraw/zinc/23/18/11/590231811.db2.gz KPSSDOCIMADPPT-CYBMUJFWSA-N 1 1 249.354 2.559 20 10 BFCDMO Cc1ccc(C[N@@H+]2CCC[C@@H]2C)c(O)c1 ZINC000876722784 590233357 /nfs/dbraw/zinc/23/33/57/590233357.db2.gz FFEBZPQXHXUACU-NSHDSACASA-N 1 1 205.301 2.685 20 10 BFCDMO Cc1cccc(O)c1C[N@H+]1CCC1(C)C ZINC000876744431 590235949 /nfs/dbraw/zinc/23/59/49/590235949.db2.gz SMEYXJPFBFCAFR-UHFFFAOYSA-N 1 1 205.301 2.685 20 10 BFCDMO CCC[C@@H]1C[N@@H+](Cc2c(C)cccc2O)CCO1 ZINC000876749562 590236986 /nfs/dbraw/zinc/23/69/86/590236986.db2.gz MJENSPNXFMAVNM-CYBMUJFWSA-N 1 1 249.354 2.702 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000876799519 590242851 /nfs/dbraw/zinc/24/28/51/590242851.db2.gz GRNUFHNWISGXID-PWSUYJOCSA-N 1 1 219.328 2.931 20 10 BFCDMO CC[C@]1(C)C[N@@H+](Cc2c(C)cccc2O)CCO1 ZINC000877463292 590332906 /nfs/dbraw/zinc/33/29/06/590332906.db2.gz CENOGBLYEQNTNB-OAHLLOKOSA-N 1 1 249.354 2.702 20 10 BFCDMO COCC(C)(C)[N@@H+](C)Cc1ccc(C)cc1O ZINC000877546438 590353482 /nfs/dbraw/zinc/35/34/82/590353482.db2.gz SCENFDOREJXNDN-UHFFFAOYSA-N 1 1 237.343 2.557 20 10 BFCDMO COC[C@@]1(C)CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877558572 590359108 /nfs/dbraw/zinc/35/91/08/590359108.db2.gz KBIATBILAVHXRI-HNNXBMFYSA-N 1 1 249.354 2.559 20 10 BFCDMO CCc1nc(C[NH2+]Cc2ccc(C)cc2O)co1 ZINC000877571312 590362258 /nfs/dbraw/zinc/36/22/58/590362258.db2.gz UOGXTPDQLWQQJX-UHFFFAOYSA-N 1 1 246.310 2.541 20 10 BFCDMO CO[C@](C)(C[N@H+]1Cc2cccc(O)c2C1)C1CC1 ZINC000877703275 590395339 /nfs/dbraw/zinc/39/53/39/590395339.db2.gz ZJAOIGFSEULVPU-OAHLLOKOSA-N 1 1 247.338 2.523 20 10 BFCDMO CC1(C[N@H+]2Cc3cccc(O)c3C2)CCC1 ZINC000877703237 590395983 /nfs/dbraw/zinc/39/59/83/590395983.db2.gz XQMIZJFDYTUANX-UHFFFAOYSA-N 1 1 217.312 2.898 20 10 BFCDMO Cc1ccncc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877702528 590396003 /nfs/dbraw/zinc/39/60/03/590396003.db2.gz AGCNVLQGBCEUNE-UHFFFAOYSA-N 1 1 240.306 2.611 20 10 BFCDMO Cc1ccncc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877702528 590396006 /nfs/dbraw/zinc/39/60/06/590396006.db2.gz AGCNVLQGBCEUNE-UHFFFAOYSA-N 1 1 240.306 2.611 20 10 BFCDMO Cc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)o1 ZINC000877703292 590396275 /nfs/dbraw/zinc/39/62/75/590396275.db2.gz AECPXASLXYDTIB-UHFFFAOYSA-N 1 1 229.279 2.809 20 10 BFCDMO Cc1ccc(C[N@H+]2Cc3cccc(O)c3C2)o1 ZINC000877703292 590396278 /nfs/dbraw/zinc/39/62/78/590396278.db2.gz AECPXASLXYDTIB-UHFFFAOYSA-N 1 1 229.279 2.809 20 10 BFCDMO Oc1cccc2c1C[N@@H+](CC1CCSCC1)C2 ZINC000877702574 590396643 /nfs/dbraw/zinc/39/66/43/590396643.db2.gz BWZBEZSUZXRSLJ-UHFFFAOYSA-N 1 1 249.379 2.851 20 10 BFCDMO Oc1ccccc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877740732 590409352 /nfs/dbraw/zinc/40/93/52/590409352.db2.gz TTWAKGDPYDLCTA-OLZOCXBDSA-N 1 1 249.379 2.577 20 10 BFCDMO CCC[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000127538871 590703791 /nfs/dbraw/zinc/70/37/91/590703791.db2.gz PKTOATFURCZPCA-UHFFFAOYSA-N 1 1 224.323 2.734 20 10 BFCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000883177606 591563635 /nfs/dbraw/zinc/56/36/35/591563635.db2.gz DLYPTDKJNPKBGJ-PEGIJTEDSA-N 1 1 239.265 2.559 20 10 BFCDMO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000132666268 591728649 /nfs/dbraw/zinc/72/86/49/591728649.db2.gz LVPZFSTYOPIZBN-SECBINFHSA-N 1 1 225.719 2.887 20 10 BFCDMO COc1ccc(O)c(C[N@@H+](C)CCC(C)C)c1 ZINC000133558285 591825047 /nfs/dbraw/zinc/82/50/47/591825047.db2.gz YQYRHRAFWKIFPA-UHFFFAOYSA-N 1 1 237.343 2.879 20 10 BFCDMO CCCC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886487827 592235041 /nfs/dbraw/zinc/23/50/41/592235041.db2.gz WVTKAKZTJWYDKG-VIFPVBQESA-N 1 1 211.280 2.982 20 10 BFCDMO CSCC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886489901 592236215 /nfs/dbraw/zinc/23/62/15/592236215.db2.gz UOBWXPDWLWZSAW-QMMMGPOBSA-N 1 1 229.320 2.545 20 10 BFCDMO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886612700 592275428 /nfs/dbraw/zinc/27/54/28/592275428.db2.gz RTFGHYPNYJVYKC-UTLUCORTSA-N 1 1 241.306 2.605 20 10 BFCDMO C[C@@H](F)CC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886616185 592276297 /nfs/dbraw/zinc/27/62/97/592276297.db2.gz WLJUWIXQNTUOFI-RKDXNWHRSA-N 1 1 229.270 2.930 20 10 BFCDMO C[C@H]([NH2+][C@@H]1C=CCC1)c1c(O)cccc1F ZINC000886636808 592284971 /nfs/dbraw/zinc/28/49/71/592284971.db2.gz VMTOZQUSDZSDSJ-VHSXEESVSA-N 1 1 221.275 2.901 20 10 BFCDMO Cc1ccc(O)c(C[N@H+](C)[C@H](C)C2CC2)c1 ZINC000158095727 631815827 /nfs/dbraw/zinc/81/58/27/631815827.db2.gz QJQOTCKWOOFVND-LLVKDONJSA-N 1 1 219.328 2.931 20 10 BFCDMO Cc1ccc(C[N@H+](C)Cc2ccccc2O)cn1 ZINC000153771314 632823942 /nfs/dbraw/zinc/82/39/42/632823942.db2.gz BFAPYUFDHQBPSI-UHFFFAOYSA-N 1 1 242.322 2.728 20 10 BFCDMO COc1cccc(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1O ZINC000162912374 635186490 /nfs/dbraw/zinc/18/64/90/635186490.db2.gz HOHHVWACDAKIJU-QWRGUYRKSA-N 1 1 235.327 2.631 20 10 BFCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2O)CCO1 ZINC000163882665 640423982 /nfs/dbraw/zinc/42/39/82/640423982.db2.gz URQAEOFUXDXDJA-CQSZACIVSA-N 1 1 249.354 2.620 20 10 BFCDMO CC[C@@H]1CC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164476308 640487454 /nfs/dbraw/zinc/48/74/54/640487454.db2.gz TWALVVCSPJDHRE-GFCCVEGCSA-N 1 1 249.354 2.941 20 10 BFCDMO CC[C@H]1COCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000151870883 641470150 /nfs/dbraw/zinc/47/01/50/641470150.db2.gz RJBAIXTYSNXYNH-AWEZNQCLSA-N 1 1 249.354 2.620 20 10 BFCDMO COc1cc(C[N@@H+](C)CC2CC2)c(O)cc1C ZINC000159895733 641704831 /nfs/dbraw/zinc/70/48/31/641704831.db2.gz KJPOTKMMJRKQAX-UHFFFAOYSA-N 1 1 235.327 2.551 20 10 BFCDMO Cc1[nH]c(CSc2nccs2)c(C)[nH+]1 ZINC000916759642 641975771 /nfs/dbraw/zinc/97/57/71/641975771.db2.gz RWDZHIVNBGHAEP-UHFFFAOYSA-N 1 1 225.342 2.775 20 10 BFCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccco2)c1 ZINC000179582213 642729962 /nfs/dbraw/zinc/72/99/62/642729962.db2.gz NYAICKKUHKLOIY-UHFFFAOYSA-N 1 1 247.294 2.626 20 10 BFCDMO Cc1ccc[nH+]c1NCc1cc(F)ccc1O ZINC000083358648 643440655 /nfs/dbraw/zinc/44/06/55/643440655.db2.gz SPOITVVIQKXRES-UHFFFAOYSA-N 1 1 232.258 2.847 20 10 BFCDMO C[N@@H+](CCc1cncs1)Cc1ccccc1O ZINC000839516425 644558642 /nfs/dbraw/zinc/55/86/42/644558642.db2.gz JLPGRTHCNHGJSN-UHFFFAOYSA-N 1 1 248.351 2.523 20 10 BFCDMO Cc1ccnc(C[N@H+](C)Cc2ccccc2O)c1 ZINC000792249585 644796181 /nfs/dbraw/zinc/79/61/81/644796181.db2.gz LZTQNQFHFQROAY-UHFFFAOYSA-N 1 1 242.322 2.728 20 10 BFCDMO CSC[C@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708436515 712194660 /nfs/dbraw/zinc/19/46/60/712194660.db2.gz NGLSWXLQDYXDJZ-ZETCQYMHSA-N 1 1 247.310 2.512 20 10 BFCDMO C[C@@H]([NH2+]CC(C)(F)F)c1ccccc1O ZINC000378849459 712366100 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/nfs/dbraw/zinc/40/81/67/985408167.db2.gz GJECVHBYTWGQMH-GFCCVEGCSA-N 1 1 249.354 2.565 20 10 BFCDMO CCc1cccc(C[N@H+]2CCC[C@H](OC)C2)c1O ZINC000692116698 985410795 /nfs/dbraw/zinc/41/07/95/985410795.db2.gz VUDLFLUZVDBELN-AWEZNQCLSA-N 1 1 249.354 2.565 20 10 BFCDMO CC(C)C1C[NH+](Cc2cc(F)c(F)cc2O)C1 ZINC001462153973 986295501 /nfs/dbraw/zinc/29/55/01/986295501.db2.gz GGDMKHMQSYJDDS-UHFFFAOYSA-N 1 1 241.281 2.758 20 10 BFCDMO C[N@@H+](CCCF)Cc1ccc(Cl)cc1O ZINC001462595737 986450950 /nfs/dbraw/zinc/45/09/50/986450950.db2.gz OZALTKUZCFBHSH-UHFFFAOYSA-N 1 1 231.698 2.837 20 10 BFCDMO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC(C)(C)N ZINC001326473857 989573250 /nfs/dbraw/zinc/57/32/50/989573250.db2.gz PBALUVNHZXZOEL-QWRGUYRKSA-N 1 1 248.370 2.576 20 10 BFCDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC(C)(C)N ZINC001326473856 989574287 /nfs/dbraw/zinc/57/42/87/989574287.db2.gz PBALUVNHZXZOEL-MNOVXSKESA-N 1 1 248.370 2.576 20 10 BFCDMO Cc1cc(C[N@@H+]2CC[C@H]2C)ccc1N(C)C ZINC001139669743 990798781 /nfs/dbraw/zinc/79/87/81/990798781.db2.gz KLKRZMIJNNXCMN-GFCCVEGCSA-N 1 1 218.344 2.655 20 10 BFCDMO Oc1cccc(F)c1C[NH+]1CCCCCC1 ZINC001137831524 990853559 /nfs/dbraw/zinc/85/35/59/990853559.db2.gz CSFAHJSPRUUMKA-UHFFFAOYSA-N 1 1 223.291 2.907 20 10 BFCDMO Oc1cccc(F)c1C[NH+]1CCCCC1 ZINC001137831887 990857121 /nfs/dbraw/zinc/85/71/21/990857121.db2.gz QZKYNXNOSRBAGI-UHFFFAOYSA-N 1 1 209.264 2.517 20 10 BFCDMO CC(C)C[N@H+](C)Cc1c(O)cccc1F ZINC001137831917 990857782 /nfs/dbraw/zinc/85/77/82/990857782.db2.gz SCQSJDGNSNJQNH-UHFFFAOYSA-N 1 1 211.280 2.619 20 10 BFCDMO CC(C)C[N@@H+](C)Cc1c(O)cccc1F ZINC001137831917 990857788 /nfs/dbraw/zinc/85/77/88/990857788.db2.gz SCQSJDGNSNJQNH-UHFFFAOYSA-N 1 1 211.280 2.619 20 10 BFCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001138129647 990885540 /nfs/dbraw/zinc/88/55/40/990885540.db2.gz PAEMONVSHTXHIT-JOYOIKCWSA-N 1 1 221.275 2.516 20 10 BFCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001138129647 990885545 /nfs/dbraw/zinc/88/55/45/990885545.db2.gz PAEMONVSHTXHIT-JOYOIKCWSA-N 1 1 221.275 2.516 20 10 BFCDMO Cc1c(C[N@H+]2C[C@@H]3C[C@@H]3C2)c2ccccc2n1C ZINC001138253824 990906677 /nfs/dbraw/zinc/90/66/77/990906677.db2.gz HXEHFFLOJCMEEP-BETUJISGSA-N 1 1 240.350 2.938 20 10 BFCDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)C2(CC2)C1 ZINC001140060431 991510102 /nfs/dbraw/zinc/51/01/02/991510102.db2.gz VQRDZIXIDALVAT-SNVBAGLBSA-N 1 1 235.302 2.906 20 10 BFCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001140057696 991511350 /nfs/dbraw/zinc/51/13/50/991511350.db2.gz KPAJJMAGFRZJAO-LLVKDONJSA-N 1 1 241.281 2.855 20 10 BFCDMO CC[N@@H+](Cc1c(C)ccc(C)c1O)C1CC1 ZINC001140178471 991551875 /nfs/dbraw/zinc/55/18/75/991551875.db2.gz MHFQZGUHEJWIRR-UHFFFAOYSA-N 1 1 219.328 2.993 20 10 BFCDMO CSCC[N@@H+](C)Cc1c(C)ccc(C)c1O ZINC001140184702 991556197 /nfs/dbraw/zinc/55/61/97/991556197.db2.gz FGNVCIXXZWSFPT-UHFFFAOYSA-N 1 1 239.384 2.804 20 10 BFCDMO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(O)cccc1Cl ZINC001140338027 991611012 /nfs/dbraw/zinc/61/10/12/991611012.db2.gz RRODPOXZLDSLAO-BDAKNGLRSA-N 1 1 243.709 2.978 20 10 BFCDMO C[C@@H]1C[C@H](F)C[N@H+]1Cc1c(O)cccc1Cl ZINC001140338027 991611019 /nfs/dbraw/zinc/61/10/19/991611019.db2.gz RRODPOXZLDSLAO-BDAKNGLRSA-N 1 1 243.709 2.978 20 10 BFCDMO C[C@@H](F)CC[NH2+]Cc1cc(F)c(F)cc1O ZINC001560848930 991622573 /nfs/dbraw/zinc/62/25/73/991622573.db2.gz NHRLIHDGFXCIMG-SSDOTTSWSA-N 1 1 233.233 2.508 20 10 BFCDMO CCC[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001140461161 991642993 /nfs/dbraw/zinc/64/29/93/991642993.db2.gz FRQZYBIJXFWOLT-UHFFFAOYSA-N 1 1 213.708 2.887 20 10 BFCDMO COc1ccc(C[N@H+]2CC3CCC2CC3)c(O)c1 ZINC000386573674 993692611 /nfs/dbraw/zinc/69/26/11/993692611.db2.gz YBNAMBYZNXYPGL-UHFFFAOYSA-N 1 1 247.338 2.775 20 10 BFCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)C2)cc1C ZINC000263657758 178195459 /nfs/dbraw/zinc/19/54/59/178195459.db2.gz CHTROGNHKKIVNI-SNVBAGLBSA-N 1 1 219.328 2.851 20 10 BFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2C)c1 ZINC000124384293 398338917 /nfs/dbraw/zinc/33/89/17/398338917.db2.gz YMFDEJORJDNWDO-LLVKDONJSA-N 1 1 235.327 2.775 20 10 BFCDMO CC(C)=CCC[NH2+]Cc1cccc(F)c1O ZINC000276793248 187239216 /nfs/dbraw/zinc/23/92/16/187239216.db2.gz UCBICHDYCDSRLX-UHFFFAOYSA-N 1 1 223.291 2.977 20 10 BFCDMO CC[N@H+](Cc1cc(OC)ccc1O)CC1CC1 ZINC000180232626 347019420 /nfs/dbraw/zinc/01/94/20/347019420.db2.gz HTGGTNVFRYRNFX-UHFFFAOYSA-N 1 1 235.327 2.633 20 10 BFCDMO Cc1cccc(C[N@@H+](C)Cc2ccncc2)c1O ZINC000183743974 179069591 /nfs/dbraw/zinc/06/95/91/179069591.db2.gz UDGKLLIIVHYYOG-UHFFFAOYSA-N 1 1 242.322 2.728 20 10 BFCDMO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCOC2)c1O ZINC000124592504 179065201 /nfs/dbraw/zinc/06/52/01/179065201.db2.gz KEBKFYFZTGKXBF-ZDUSSCGKSA-N 1 1 249.354 2.559 20 10 BFCDMO Cc1cccc(C[N@@H+](C)C[C@H]2CCCCO2)c1O ZINC000124569715 179067340 /nfs/dbraw/zinc/06/73/40/179067340.db2.gz VGXADUDSFBAOHB-CQSZACIVSA-N 1 1 249.354 2.702 20 10 BFCDMO Cc1cccc(C[N@H+]2CCS[C@H](C)C2)c1O ZINC000180041332 179078258 /nfs/dbraw/zinc/07/82/58/179078258.db2.gz QBOTTYODLFPWMP-LLVKDONJSA-N 1 1 237.368 2.638 20 10 BFCDMO Cc1cccc(NCc2ccc(N)cc2)[nH+]1 ZINC000037670905 179150424 /nfs/dbraw/zinc/15/04/24/179150424.db2.gz YWPPHPRWOOYTLD-UHFFFAOYSA-N 1 1 213.284 2.584 20 10 BFCDMO CC[N@@H+](Cc1cc(F)ccc1O)C(C)C ZINC000179912674 346741714 /nfs/dbraw/zinc/74/17/14/346741714.db2.gz LOHSBLCBBSQCCU-UHFFFAOYSA-N 1 1 211.280 2.762 20 10 BFCDMO CC1(C)CC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000289753878 219917033 /nfs/dbraw/zinc/91/70/33/219917033.db2.gz JICPQOYRBWIKDR-LLVKDONJSA-N 1 1 223.291 2.810 20 10 BFCDMO CCC[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000037323116 169080481 /nfs/dbraw/zinc/08/04/81/169080481.db2.gz PLAFHEAUWBBCAI-UHFFFAOYSA-N 1 1 239.290 2.576 20 10 BFCDMO CCC[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000037323116 169080484 /nfs/dbraw/zinc/08/04/84/169080484.db2.gz PLAFHEAUWBBCAI-UHFFFAOYSA-N 1 1 239.290 2.576 20 10 BFCDMO CCC[N@@H+](C)Cc1cc(OCC)ccc1O ZINC000127567929 169080684 /nfs/dbraw/zinc/08/06/84/169080684.db2.gz TXFAHENPIFFFCH-UHFFFAOYSA-N 1 1 223.316 2.633 20 10 BFCDMO Oc1c(F)cccc1C[NH2+][C@@H]1CCCSC1 ZINC000163177792 183254727 /nfs/dbraw/zinc/25/47/27/183254727.db2.gz HVCIIIOBNHOWQV-SNVBAGLBSA-N 1 1 241.331 2.517 20 10 BFCDMO Oc1ccc(F)cc1C[N@H+]1CCCC2(CC2)C1 ZINC000186627022 183274990 /nfs/dbraw/zinc/27/49/90/183274990.db2.gz TVMOZHPJXKYULI-UHFFFAOYSA-N 1 1 235.302 2.907 20 10 BFCDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCCC1 ZINC000294781374 183258404 /nfs/dbraw/zinc/25/84/04/183258404.db2.gz BSNMNGYMNUAZDW-UHFFFAOYSA-N 1 1 229.682 2.781 20 10 BFCDMO Oc1ccccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000378494361 183301576 /nfs/dbraw/zinc/30/15/76/183301576.db2.gz LBLGMPNACMTZSX-CYBMUJFWSA-N 1 1 217.312 2.767 20 10 BFCDMO CCCOc1ccc(C[N@@H+](C)CCF)c(O)c1 ZINC000293513213 169318465 /nfs/dbraw/zinc/31/84/65/169318465.db2.gz AKPQPVSEAKAOJK-UHFFFAOYSA-N 1 1 241.306 2.582 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C)C2)c1 ZINC000132659282 384198326 /nfs/dbraw/zinc/19/83/26/384198326.db2.gz DCINZVYNCULKNQ-NSHDSACASA-N 1 1 205.301 2.542 20 10 BFCDMO CSCCC[N@@H+](C)Cc1ccccc1O ZINC000072629613 384228529 /nfs/dbraw/zinc/22/85/29/384228529.db2.gz NXIWAUDUVUHHGS-UHFFFAOYSA-N 1 1 225.357 2.577 20 10 BFCDMO COCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000081706126 384628772 /nfs/dbraw/zinc/62/87/72/384628772.db2.gz HDXPSLIPRGELAV-VHSXEESVSA-N 1 1 241.306 2.607 20 10 BFCDMO CO[C@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000102766519 384728959 /nfs/dbraw/zinc/72/89/59/384728959.db2.gz GPXVOCRAWSFZIV-AWEZNQCLSA-N 1 1 249.354 2.620 20 10 BFCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CCC(C)(C)O1 ZINC000187245906 384927434 /nfs/dbraw/zinc/92/74/34/384927434.db2.gz VTWQVEZAUZFESZ-CYBMUJFWSA-N 1 1 249.354 2.782 20 10 BFCDMO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(F)cc1O ZINC000164600515 385021177 /nfs/dbraw/zinc/02/11/77/385021177.db2.gz XKEUBDXKWWUWKG-GUBZILKMSA-N 1 1 223.291 2.838 20 10 BFCDMO CC(C)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062744702 385183777 /nfs/dbraw/zinc/18/37/77/385183777.db2.gz LEYIQYZTOGXOJX-VIFPVBQESA-N 1 1 211.280 2.838 20 10 BFCDMO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc(F)cc1O ZINC000062748380 385186542 /nfs/dbraw/zinc/18/65/42/385186542.db2.gz BRQXJAGINUKWJN-PRHODGIISA-N 1 1 223.291 2.980 20 10 BFCDMO CC[C@@H](C)C[N@@H+](C)Cc1ccccc1O ZINC000120766652 385416884 /nfs/dbraw/zinc/41/68/84/385416884.db2.gz UMPQBWYVFGKBEK-LLVKDONJSA-N 1 1 207.317 2.870 20 10 BFCDMO Cc1occc1C[N@H+](C)Cc1ccccc1O ZINC000179562903 385473841 /nfs/dbraw/zinc/47/38/41/385473841.db2.gz ZWZIRZRWUYPDMT-UHFFFAOYSA-N 1 1 231.295 2.926 20 10 BFCDMO CO[C@@H]1CC[N@@H+](Cc2cc(C)ccc2O)[C@H](C)C1 ZINC000282125111 385734530 /nfs/dbraw/zinc/73/45/30/385734530.db2.gz AZXNYRMLADQKNA-TZMCWYRMSA-N 1 1 249.354 2.700 20 10 BFCDMO CO[C@H]1CC[N@@H+](Cc2ccccc2O)CC1(C)C ZINC000294988192 385935470 /nfs/dbraw/zinc/93/54/70/385935470.db2.gz KKEYWTSAHIWHNY-AWEZNQCLSA-N 1 1 249.354 2.639 20 10 BFCDMO Cc1ccc(O)c(C[N@H+](C(C)C)[C@H]2CCOC2)c1 ZINC000291241735 386525146 /nfs/dbraw/zinc/52/51/46/386525146.db2.gz LGOUSQYWDBQCDG-AWEZNQCLSA-N 1 1 249.354 2.700 20 10 BFCDMO CC[C@H]1CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000292537912 386686054 /nfs/dbraw/zinc/68/60/54/386686054.db2.gz XNFXCVRPKIINTB-ZDUSSCGKSA-N 1 1 218.344 2.737 20 10 BFCDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000280471665 386817646 /nfs/dbraw/zinc/81/76/46/386817646.db2.gz NDSXSPWFSUUMSE-OCCSQVGLSA-N 1 1 249.354 2.518 20 10 BFCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000378349714 387778595 /nfs/dbraw/zinc/77/85/95/387778595.db2.gz PCYZGYHFVXYMPW-ZDUSSCGKSA-N 1 1 231.339 2.933 20 10 BFCDMO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccccc1O ZINC000179881949 134324836 /nfs/dbraw/zinc/32/48/36/134324836.db2.gz NGRBPYGRLQTCEF-GFCCVEGCSA-N 1 1 242.322 2.771 20 10 BFCDMO [O-]c1c(F)cccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000361055722 397971762 /nfs/dbraw/zinc/97/17/62/397971762.db2.gz WXJHKESCIHVXEC-NSHDSACASA-N 1 1 235.302 2.763 20 10 BFCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000361055722 397971764 /nfs/dbraw/zinc/97/17/64/397971764.db2.gz WXJHKESCIHVXEC-NSHDSACASA-N 1 1 235.302 2.763 20 10 BFCDMO Oc1c(F)cccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000361055722 397971768 /nfs/dbraw/zinc/97/17/68/397971768.db2.gz WXJHKESCIHVXEC-NSHDSACASA-N 1 1 235.302 2.763 20 10 BFCDMO CC1(C)[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@@H]21 ZINC000180199112 168012632 /nfs/dbraw/zinc/01/26/32/168012632.db2.gz XUBMWBAOGZRAQL-TXEJJXNPSA-N 1 1 235.302 2.619 20 10 BFCDMO CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000132051450 170159017 /nfs/dbraw/zinc/15/90/17/170159017.db2.gz ZFALNMRLWBYJJB-SSDOTTSWSA-N 1 1 244.132 2.825 20 10 BFCDMO COc1ccc(O)c(C[N@@H+](C)CCC2CC2)c1 ZINC000180767020 175157049 /nfs/dbraw/zinc/15/70/49/175157049.db2.gz UUENIOKWBKTFOS-UHFFFAOYSA-N 1 1 235.327 2.633 20 10 BFCDMO COc1ccc(O)c(C[N@H+]2CCC=C(C)C2)c1 ZINC000281873353 175157126 /nfs/dbraw/zinc/15/71/26/175157126.db2.gz UWRVXZANVZVHJQ-UHFFFAOYSA-N 1 1 233.311 2.553 20 10 BFCDMO COc1ccc(O)c(C[N@H+]2CCCC3(CC3)C2)c1 ZINC000186611940 175157143 /nfs/dbraw/zinc/15/71/43/175157143.db2.gz IOJANSLPEPNHDS-UHFFFAOYSA-N 1 1 247.338 2.777 20 10 BFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2C2CC2)c1 ZINC000371424889 175157932 /nfs/dbraw/zinc/15/79/32/175157932.db2.gz JQIOLRKBMBSCHQ-CQSZACIVSA-N 1 1 247.338 2.775 20 10 BFCDMO COc1ccc(O)c(C[N@H+]2C[C@H]3CCCC[C@H]32)c1 ZINC000367971474 175158085 /nfs/dbraw/zinc/15/80/85/175158085.db2.gz BJVCZSWSNFPNED-BXUZGUMPSA-N 1 1 247.338 2.775 20 10 BFCDMO COc1cccc(C[N@@H+](C)CC(C)(C)C)c1O ZINC000133373484 175254206 /nfs/dbraw/zinc/25/42/06/175254206.db2.gz WVDHOWIKNDNVCV-UHFFFAOYSA-N 1 1 237.343 2.879 20 10 BFCDMO COc1cccc(C[N@H+]2CC[C@@H](C)[C@H]2C)c1O ZINC000091860109 175260230 /nfs/dbraw/zinc/26/02/30/175260230.db2.gz FQEPOSIAIRNFPZ-GHMZBOCLSA-N 1 1 235.327 2.631 20 10 BFCDMO C[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1O ZINC000165415633 176110086 /nfs/dbraw/zinc/11/00/86/176110086.db2.gz LCWDUJFBTNUFBT-SECBINFHSA-N 1 1 209.264 2.516 20 10 BFCDMO C[C@@H]1CCC[N@H+]1Cc1cccc(F)c1O ZINC000165415633 176110087 /nfs/dbraw/zinc/11/00/87/176110087.db2.gz LCWDUJFBTNUFBT-SECBINFHSA-N 1 1 209.264 2.516 20 10 BFCDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000293183008 177263700 /nfs/dbraw/zinc/26/37/00/177263700.db2.gz WUDQPOIASPNRTH-NWDGAFQWSA-N 1 1 218.344 2.593 20 10 BFCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3C[C@H]3C2)cc1C ZINC000853576883 588749428 /nfs/dbraw/zinc/74/94/28/588749428.db2.gz GQZJKWJGSGFFSI-STQMWFEESA-N 1 1 231.339 2.851 20 10 BFCDMO Cc1coc(C[N@H+](C)Cc2ccccc2O)c1 ZINC000893962153 583258220 /nfs/dbraw/zinc/25/82/20/583258220.db2.gz LTUHCPQGEPNLNV-UHFFFAOYSA-N 1 1 231.295 2.926 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000894860091 583533678 /nfs/dbraw/zinc/53/36/78/583533678.db2.gz AMIPFWJMYIWZOI-MNOVXSKESA-N 1 1 205.301 2.541 20 10 BFCDMO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]2C)c(O)c1 ZINC000894862042 583535345 /nfs/dbraw/zinc/53/53/45/583535345.db2.gz SJKJLKCYNFNQQX-MNOVXSKESA-N 1 1 205.301 2.541 20 10 BFCDMO CCC(CC)[NH2+]Cc1c(O)cccc1F ZINC000896636198 583819399 /nfs/dbraw/zinc/81/93/99/583819399.db2.gz AIBHLROGIZKKRO-UHFFFAOYSA-N 1 1 211.280 2.810 20 10 BFCDMO CC1(C[NH2+]Cc2c(O)cccc2F)CCC1 ZINC000896637959 583819577 /nfs/dbraw/zinc/81/95/77/583819577.db2.gz STVJRZVTWGIYTH-UHFFFAOYSA-N 1 1 223.291 2.811 20 10 BFCDMO C[C@@H]([NH2+]Cc1c(O)cccc1F)[C@H]1CC1(F)F ZINC000896638942 583819674 /nfs/dbraw/zinc/81/96/74/583819674.db2.gz RZLWMXVTNMEXSK-VXNVDRBHSA-N 1 1 245.244 2.665 20 10 BFCDMO Oc1cccc(F)c1C[NH2+][C@@H]1CCCSC1 ZINC000896637704 583819812 /nfs/dbraw/zinc/81/98/12/583819812.db2.gz QJQKNBDATWXKOF-SECBINFHSA-N 1 1 241.331 2.517 20 10 BFCDMO CC(C)[C@@H](C)[NH2+]Cc1c(O)cccc1F ZINC000896637941 583819914 /nfs/dbraw/zinc/81/99/14/583819914.db2.gz RYZJQEXWKINFTJ-SECBINFHSA-N 1 1 211.280 2.665 20 10 BFCDMO C[C@H]1CC[C@@H]([NH2+]Cc2c(O)cccc2F)C1 ZINC000896637893 583820079 /nfs/dbraw/zinc/82/00/79/583820079.db2.gz QNUKMQMQNATJMX-VHSXEESVSA-N 1 1 223.291 2.810 20 10 BFCDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862442961 583963033 /nfs/dbraw/zinc/96/30/33/583963033.db2.gz JGOZRCFXMOIHHL-OKILXGFUSA-N 1 1 230.355 2.513 20 10 BFCDMO C[C@@H]([NH2+]Cc1ccon1)c1ccc(N(C)C)cc1 ZINC000148634206 584019305 /nfs/dbraw/zinc/01/93/05/584019305.db2.gz UNYGANKEUQBZOT-LLVKDONJSA-N 1 1 245.326 2.591 20 10 BFCDMO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccon2)c1 ZINC000148720707 584035479 /nfs/dbraw/zinc/03/54/79/584035479.db2.gz DEIBOKFRWUIANS-JTQLQIEISA-N 1 1 232.283 2.539 20 10 BFCDMO CCOc1ccc(C[N@@H+](C)CC(C)C)c(O)c1 ZINC000768242637 584949019 /nfs/dbraw/zinc/94/90/19/584949019.db2.gz AAINHXMEQIRXPB-UHFFFAOYSA-N 1 1 237.343 2.879 20 10 BFCDMO CC[C@H](COC)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886530758 585141943 /nfs/dbraw/zinc/14/19/43/585141943.db2.gz PVOTXKCWNBMZFV-VHSXEESVSA-N 1 1 241.306 2.607 20 10 BFCDMO CCC[N@@H+](C)Cc1c(O)ccc2ccncc21 ZINC000746074725 585162991 /nfs/dbraw/zinc/16/29/91/585162991.db2.gz KSWHVXBJLAVTOX-UHFFFAOYSA-N 1 1 230.311 2.782 20 10 BFCDMO CC(C)OCC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886588503 585167830 /nfs/dbraw/zinc/16/78/30/585167830.db2.gz SSMYTXGFLGPQSK-JTQLQIEISA-N 1 1 241.306 2.607 20 10 BFCDMO Cc1nc(NCc2ccccc2O)c(C)c(C)[nH+]1 ZINC000761887372 585422615 /nfs/dbraw/zinc/42/26/15/585422615.db2.gz VWRWVSXPUFOGAK-UHFFFAOYSA-N 1 1 243.310 2.720 20 10 BFCDMO CC[N@@H+](Cc1c(O)cccc1OC)C(C)C ZINC000768236853 585534483 /nfs/dbraw/zinc/53/44/83/585534483.db2.gz JPPIVHKNNXNOFL-UHFFFAOYSA-N 1 1 223.316 2.631 20 10 BFCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]1C1CC1 ZINC000769327587 585554128 /nfs/dbraw/zinc/55/41/28/585554128.db2.gz CQACHYXCXCJLJY-ZDUSSCGKSA-N 1 1 247.338 2.775 20 10 BFCDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000769471565 585557908 /nfs/dbraw/zinc/55/79/08/585557908.db2.gz VRYPVWMQGKMQQY-OLZOCXBDSA-N 1 1 232.371 2.983 20 10 BFCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000769516980 585558475 /nfs/dbraw/zinc/55/84/75/585558475.db2.gz XHLJADOXYXNLAC-HNNXBMFYSA-N 1 1 244.382 2.985 20 10 BFCDMO Cc1cc(O)c(C[N@@H+]2CC=CCC2)cc1C ZINC000778576703 585737513 /nfs/dbraw/zinc/73/75/13/585737513.db2.gz KFEWZQXAIBVYQT-UHFFFAOYSA-N 1 1 217.312 2.771 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)c1 ZINC000779148102 585745753 /nfs/dbraw/zinc/74/57/53/585745753.db2.gz GHAJSDFXIGVVSA-AAEUAGOBSA-N 1 1 237.318 2.881 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)c1 ZINC000783736822 585841409 /nfs/dbraw/zinc/84/14/09/585841409.db2.gz FSOUPNWRFFTMJU-RWMBFGLXSA-N 1 1 249.354 2.698 20 10 BFCDMO CC[C@@H]1CC[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000793825240 586027479 /nfs/dbraw/zinc/02/74/79/586027479.db2.gz XWZDVOVNBQOIHJ-GFCCVEGCSA-N 1 1 235.327 2.694 20 10 BFCDMO CC[C@H]1CC[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000793825244 586027511 /nfs/dbraw/zinc/02/75/11/586027511.db2.gz XWZDVOVNBQOIHJ-LBPRGKRZSA-N 1 1 235.327 2.694 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@H]2C)c1 ZINC000816648402 586750117 /nfs/dbraw/zinc/75/01/17/586750117.db2.gz JYXMZYMWKMFFSD-WDEREUQCSA-N 1 1 205.301 2.541 20 10 BFCDMO CCOc1cccc(C[N@H+]2C[C@@H](C)[C@@H]2C)c1O ZINC000816647539 586750604 /nfs/dbraw/zinc/75/06/04/586750604.db2.gz UGGKGUMICMJWJH-MNOVXSKESA-N 1 1 235.327 2.631 20 10 BFCDMO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H]2C)c1O ZINC000816649625 586752645 /nfs/dbraw/zinc/75/26/45/586752645.db2.gz FMVLIPWAODQNNQ-GHMZBOCLSA-N 1 1 205.301 2.541 20 10 BFCDMO CC[C@@H]([NH2+]C[C@@H]1CCCCN1)c1ccccc1O ZINC000817948531 586846870 /nfs/dbraw/zinc/84/68/70/586846870.db2.gz BDNHWZZJFOYCFI-GXTWGEPZSA-N 1 1 248.370 2.575 20 10 BFCDMO Cc1ccc([C@@H](C)[NH2+]CC2(N)CCC2)c(O)c1C ZINC000817965219 586854017 /nfs/dbraw/zinc/85/40/17/586854017.db2.gz RKQGEIMHDGSIIC-GFCCVEGCSA-N 1 1 248.370 2.541 20 10 BFCDMO CC[C@@H]([NH2+]CC1(N)CCC1)c1ccc(C)cc1O ZINC000817965024 586854329 /nfs/dbraw/zinc/85/43/29/586854329.db2.gz NFQJKPGKHQPDLG-CYBMUJFWSA-N 1 1 248.370 2.623 20 10 BFCDMO CC[C@H]([NH2+]CC1(N)CCC1)c1ccc(C)cc1O ZINC000817965025 586854362 /nfs/dbraw/zinc/85/43/62/586854362.db2.gz NFQJKPGKHQPDLG-ZDUSSCGKSA-N 1 1 248.370 2.623 20 10 BFCDMO CC[C@H](N[C@@H](C)[C@H](C)[NH3+])c1ccc(N(C)C)cc1 ZINC000817977434 586861131 /nfs/dbraw/zinc/86/11/31/586861131.db2.gz KGFZWRLPTOEPAI-HUBLWGQQSA-N 1 1 249.402 2.529 20 10 BFCDMO CC[C@H]([NH2+][C@@H](C)[C@H](C)N)c1ccc(N(C)C)cc1 ZINC000817977434 586861133 /nfs/dbraw/zinc/86/11/33/586861133.db2.gz KGFZWRLPTOEPAI-HUBLWGQQSA-N 1 1 249.402 2.529 20 10 BFCDMO Cc1cccc(C[N@H+]2CC[C@H]2C2CC2)c1O ZINC000824650712 587281005 /nfs/dbraw/zinc/28/10/05/587281005.db2.gz PIEMSJCRUFGBPO-ZDUSSCGKSA-N 1 1 217.312 2.685 20 10 BFCDMO CCOc1cccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000827506725 587384572 /nfs/dbraw/zinc/38/45/72/587384572.db2.gz KVNBCSLYQPAUGW-DGCLKSJQSA-N 1 1 247.338 2.633 20 10 BFCDMO COc1cccc(C[N@@H+](C)C[C@H]2CC2(C)C)c1O ZINC000827943648 587411780 /nfs/dbraw/zinc/41/17/80/587411780.db2.gz YYASJFFVHIEERX-GFCCVEGCSA-N 1 1 249.354 2.879 20 10 BFCDMO CCc1nc(C[NH2+][C@@H](C)c2ccccc2O)co1 ZINC000834896439 587769704 /nfs/dbraw/zinc/76/97/04/587769704.db2.gz BAPBMFIZIUVADI-JTQLQIEISA-N 1 1 246.310 2.793 20 10 BFCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C1CC1 ZINC000840909654 587929355 /nfs/dbraw/zinc/92/93/55/587929355.db2.gz GHMXXBMQQSTGAD-UHFFFAOYSA-N 1 1 218.344 2.655 20 10 BFCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](F)C1 ZINC000840950786 587931691 /nfs/dbraw/zinc/93/16/91/587931691.db2.gz NQXIWDKGVRUCLK-CYBMUJFWSA-N 1 1 236.334 2.605 20 10 BFCDMO COCCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841743805 587973690 /nfs/dbraw/zinc/97/36/90/587973690.db2.gz KBKYTYMLMBIKQW-VIFPVBQESA-N 1 1 243.734 2.733 20 10 BFCDMO COc1cccc(O)c1C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000841891292 587982194 /nfs/dbraw/zinc/98/21/94/587982194.db2.gz XRYJCKRLWZMUTK-SRVKXCTJSA-N 1 1 249.354 2.877 20 10 BFCDMO Oc1ccccc1C[N@H+]1CCC12CCCC2 ZINC000846001213 588252985 /nfs/dbraw/zinc/25/29/85/588252985.db2.gz YPQDBAXUEFSDAS-UHFFFAOYSA-N 1 1 217.312 2.911 20 10 BFCDMO COc1cccc(C[N@H+]2CCC23CCCC3)c1O ZINC000846000224 588253198 /nfs/dbraw/zinc/25/31/98/588253198.db2.gz OUOCXIRBZWULPW-UHFFFAOYSA-N 1 1 247.338 2.919 20 10 BFCDMO CCc1cccc(C[N@H+](CC)C2CC2)c1O ZINC000848880445 588416300 /nfs/dbraw/zinc/41/63/00/588416300.db2.gz DSDMBWWXGVSTNI-UHFFFAOYSA-N 1 1 219.328 2.939 20 10 BFCDMO CCc1cccc(C[N@@H+](C(C)C)C2COC2)c1O ZINC000848914756 588420203 /nfs/dbraw/zinc/42/02/03/588420203.db2.gz SHFMKAJPLPVDTF-UHFFFAOYSA-N 1 1 249.354 2.564 20 10 BFCDMO C[N@H+]1CC[C@@H](CSc2ncc(Cl)s2)C1 ZINC000850000262 588513601 /nfs/dbraw/zinc/51/36/01/588513601.db2.gz ODPHSGYQKQINGJ-SSDOTTSWSA-N 1 1 248.804 2.840 20 10 BFCDMO CN(C)c1ccc(C[N@H+]2CC3CC2(C)C3)cc1 ZINC000852786961 588702648 /nfs/dbraw/zinc/70/26/48/588702648.db2.gz QMMJXVLUEGNOGK-UHFFFAOYSA-N 1 1 230.355 2.737 20 10 BFCDMO Cc1cccc(O)c1C[N@H+](C)[C@@H]1CCSC1 ZINC000876573603 590217475 /nfs/dbraw/zinc/21/74/75/590217475.db2.gz WOWFIPZGMKUPOT-LLVKDONJSA-N 1 1 237.368 2.638 20 10 BFCDMO Cc1cccc(O)c1C[N@H+](C)[C@H](C)C1CC1 ZINC000876590427 590219468 /nfs/dbraw/zinc/21/94/68/590219468.db2.gz WRPIXGCGPWJLLO-LLVKDONJSA-N 1 1 219.328 2.931 20 10 BFCDMO CCC[C@H](C[N@@H+](C)Cc1ccccc1O)OC ZINC000876615863 590222282 /nfs/dbraw/zinc/22/22/82/590222282.db2.gz MXUTUSBLXXCAIK-CYBMUJFWSA-N 1 1 237.343 2.639 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000877165222 590295106 /nfs/dbraw/zinc/29/51/06/590295106.db2.gz KDDWRIMWEQZCAK-WCQYABFASA-N 1 1 237.318 2.881 20 10 BFCDMO Cc1ccc(C[N@@H+](C)Cc2cccnc2)c(O)c1 ZINC000877169411 590295743 /nfs/dbraw/zinc/29/57/43/590295743.db2.gz OODSJDQTPSJUCW-UHFFFAOYSA-N 1 1 242.322 2.728 20 10 BFCDMO CC[C@]1(C)COCC[N@H+]1Cc1ccc(C)cc1O ZINC000877407173 590324171 /nfs/dbraw/zinc/32/41/71/590324171.db2.gz NGROSLHCJVDKFS-OAHLLOKOSA-N 1 1 249.354 2.702 20 10 BFCDMO CO[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)CC[C@@H]1C ZINC000877465599 590333227 /nfs/dbraw/zinc/33/32/27/590333227.db2.gz YEAJBDAAJSILPR-SWLSCSKDSA-N 1 1 249.354 2.557 20 10 BFCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H]1C1CC1 ZINC000877561274 590359760 /nfs/dbraw/zinc/35/97/60/590359760.db2.gz DMCIOOKNQJTDSY-CYBMUJFWSA-N 1 1 217.312 2.685 20 10 BFCDMO CC[C@@H](C)[C@H](C[N@H+]1Cc2cccc(O)c2C1)OC ZINC000877703160 590396056 /nfs/dbraw/zinc/39/60/56/590396056.db2.gz UGIBWTHRTLIYAD-ABAIWWIYSA-N 1 1 249.354 2.769 20 10 BFCDMO C[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000132666488 591728094 /nfs/dbraw/zinc/72/80/94/591728094.db2.gz LVPZFSTYOPIZBN-VIFPVBQESA-N 1 1 225.719 2.887 20 10 BFCDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000132658839 591728721 /nfs/dbraw/zinc/72/87/21/591728721.db2.gz OPGQNUXSCVGBBH-SECBINFHSA-N 1 1 225.719 2.887 20 10 BFCDMO CC[C@@H](C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886489974 592235535 /nfs/dbraw/zinc/23/55/35/592235535.db2.gz WGVBYXBLFWGOGF-BDAKNGLRSA-N 1 1 211.280 2.980 20 10 BFCDMO CC[C@@H](C)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886489977 592235669 /nfs/dbraw/zinc/23/56/69/592235669.db2.gz WGVBYXBLFWGOGF-RKDXNWHRSA-N 1 1 211.280 2.980 20 10 BFCDMO C[C@H]([NH2+]CC1CC1)c1c(O)cccc1F ZINC000886500099 592238226 /nfs/dbraw/zinc/23/82/26/592238226.db2.gz FTKQGIUAONXZMX-QMMMGPOBSA-N 1 1 209.264 2.592 20 10 BFCDMO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1c(O)cccc1F ZINC000886513351 592240135 /nfs/dbraw/zinc/24/01/35/592240135.db2.gz ZHKHYKLNEGNASR-UTLUCORTSA-N 1 1 223.291 2.838 20 10 BFCDMO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1c(O)cccc1F ZINC000886513350 592240830 /nfs/dbraw/zinc/24/08/30/592240830.db2.gz ZHKHYKLNEGNASR-LPEHRKFASA-N 1 1 223.291 2.838 20 10 BFCDMO CSCCC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886527941 592245772 /nfs/dbraw/zinc/24/57/72/592245772.db2.gz CWKPUKSVYDSSRS-VIFPVBQESA-N 1 1 243.347 2.935 20 10 BFCDMO COC(C)(C)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886540422 592253958 /nfs/dbraw/zinc/25/39/58/592253958.db2.gz DXFVRLIDGNBFNH-VIFPVBQESA-N 1 1 241.306 2.607 20 10 BFCDMO C[C@@H]([NH2+]C1CC=CC1)c1c(O)cccc1F ZINC000886541609 592254673 /nfs/dbraw/zinc/25/46/73/592254673.db2.gz YLFWQQAKBOAKJI-SECBINFHSA-N 1 1 221.275 2.901 20 10 BFCDMO C[C@@H]([NH2+]CCCCF)c1c(O)cccc1F ZINC000886612602 592276326 /nfs/dbraw/zinc/27/63/26/592276326.db2.gz PPIRJADAKYCAPO-SECBINFHSA-N 1 1 229.270 2.932 20 10 BFCDMO C[C@@H]([NH2+][C@H]1C=CCC1)c1c(O)cccc1F ZINC000886636809 592284508 /nfs/dbraw/zinc/28/45/08/592284508.db2.gz VMTOZQUSDZSDSJ-ZJUUUORDSA-N 1 1 221.275 2.901 20 10 BFCDMO C/C=C/C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886643032 592287653 /nfs/dbraw/zinc/28/76/53/592287653.db2.gz JCALGSFTSGKVTL-NWALNABHSA-N 1 1 209.264 2.758 20 10 BFCDMO Cc1cc(C[N@@H+](C)CCCF)ccc1N(C)C ZINC000887142674 592459923 /nfs/dbraw/zinc/45/99/23/592459923.db2.gz VMRYXSIAOWCYAE-UHFFFAOYSA-N 1 1 238.350 2.852 20 10 BFCDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000313474095 634462336 /nfs/dbraw/zinc/46/23/36/634462336.db2.gz VZQYDDXGZXXVGW-CQSZACIVSA-N 1 1 249.354 2.783 20 10 BFCDMO COc1cccc(C[N@H+]2C[C@@H](C)C[C@H]2C)c1O ZINC000162912634 632116794 /nfs/dbraw/zinc/11/67/94/632116794.db2.gz HOHHVWACDAKIJU-WDEREUQCSA-N 1 1 235.327 2.631 20 10 BFCDMO Cc1cc(C)c(O)c(C[N@H+]2CCCO[C@H](C)C2)c1 ZINC000178891771 635755862 /nfs/dbraw/zinc/75/58/62/635755862.db2.gz VDQDMLDWAPOTHL-CYBMUJFWSA-N 1 1 249.354 2.620 20 10 BFCDMO Cc1cc(O)c(C[N@H+]2CCOC(C)(C)C2)cc1C ZINC000126272160 635725721 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/nfs/dbraw/zinc/80/55/80/966805580.db2.gz JMUGLKVBPOODCH-NSHDSACASA-N 1 1 235.327 2.720 20 10 BFCDMO CCC(CC)[N@@H+](C)Cc1ccc(O)c(O)c1 ZINC001203879342 966805918 /nfs/dbraw/zinc/80/59/18/966805918.db2.gz INRCWDCHQJSLCY-UHFFFAOYSA-N 1 1 223.316 2.718 20 10 BFCDMO C[N@@H+](Cc1ccsc1)Cc1ccc(O)cc1O ZINC001204278888 966961353 /nfs/dbraw/zinc/96/13/53/966961353.db2.gz LVWAXTCRCLAROL-UHFFFAOYSA-N 1 1 249.335 2.791 20 10 BFCDMO Oc1ccccc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000701578911 967816040 /nfs/dbraw/zinc/81/60/40/967816040.db2.gz FBVCHWIYTUVNHI-GFCCVEGCSA-N 1 1 237.318 2.964 20 10 BFCDMO CC[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC000167290064 970135208 /nfs/dbraw/zinc/13/52/08/970135208.db2.gz HARLOTDMPZRLJX-UHFFFAOYSA-N 1 1 218.344 2.739 20 10 BFCDMO CCOCC[C@H](C)[N@H+]1CCc2cccc(O)c2C1 ZINC001172433451 974718205 /nfs/dbraw/zinc/71/82/05/974718205.db2.gz PVICFBULCXZIPK-LBPRGKRZSA-N 1 1 249.354 2.565 20 10 BFCDMO Nc1ccc(C[N@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC001335289543 976934341 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ZINC000877703252 590396657 /nfs/dbraw/zinc/39/66/57/590396657.db2.gz YHGSIAVQYDNVID-UHFFFAOYSA-N 1 1 240.306 2.611 20 10 BFCDMO Oc1ccccc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877740731 590409966 /nfs/dbraw/zinc/40/99/66/590409966.db2.gz TTWAKGDPYDLCTA-CHWSQXEVSA-N 1 1 249.379 2.577 20 10 BFCDMO CC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000878104084 590494383 /nfs/dbraw/zinc/49/43/83/590494383.db2.gz RDPNAVARCDENGA-UHFFFAOYSA-N 1 1 247.338 2.726 20 10 BFCDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000132659040 591727966 /nfs/dbraw/zinc/72/79/66/591727966.db2.gz OPGQNUXSCVGBBH-VIFPVBQESA-N 1 1 225.719 2.887 20 10 BFCDMO C[C@@H]([NH2+]CCCF)c1ccc(F)cc1O ZINC000134935744 591962124 /nfs/dbraw/zinc/96/21/24/591962124.db2.gz XOIACRYXPRYKGC-MRVPVSSYSA-N 1 1 215.243 2.542 20 10 BFCDMO COCC[C@@H](C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886520315 592244609 /nfs/dbraw/zinc/24/46/09/592244609.db2.gz BFYWMFUAZQEECG-ZJUUUORDSA-N 1 1 241.306 2.607 20 10 BFCDMO COC(C)(C)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886540421 592254326 /nfs/dbraw/zinc/25/43/26/592254326.db2.gz DXFVRLIDGNBFNH-SECBINFHSA-N 1 1 241.306 2.607 20 10 BFCDMO C[C@@H]([NH2+]CCCF)c1c(O)cccc1F ZINC000886551802 592259149 /nfs/dbraw/zinc/25/91/49/592259149.db2.gz OTXGIHBOZOCCJD-MRVPVSSYSA-N 1 1 215.243 2.542 20 10 BFCDMO C[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1cn[nH]c1 ZINC000886556574 592259958 /nfs/dbraw/zinc/25/99/58/592259958.db2.gz FUFHBMFNFJOJHU-IUCAKERBSA-N 1 1 249.289 2.666 20 10 BFCDMO C[C@@H]([NH2+]C1CC(F)(F)C1)c1c(O)cccc1F ZINC000886601038 592273098 /nfs/dbraw/zinc/27/30/98/592273098.db2.gz ICSGUKUQOMGXCQ-SSDOTTSWSA-N 1 1 245.244 2.980 20 10 BFCDMO CC[C@@H](C[NH2+][C@@H](C)c1c(O)cccc1F)OC ZINC000886612125 592276260 /nfs/dbraw/zinc/27/62/60/592276260.db2.gz CKCNQAQEPDZNPA-UWVGGRQHSA-N 1 1 241.306 2.607 20 10 BFCDMO C[C@H]([NH2+][C@@H]1CC12CC2)c1c(O)cccc1F ZINC000886629932 592280892 /nfs/dbraw/zinc/28/08/92/592280892.db2.gz QSLAKNAXCPCESU-GZMMTYOYSA-N 1 1 221.275 2.734 20 10 BFCDMO C[C@@H]([NH2+]CC(C)(C)F)c1c(O)cccc1F ZINC000886645241 592287331 /nfs/dbraw/zinc/28/73/31/592287331.db2.gz UUYBFUWJXRTLEW-MRVPVSSYSA-N 1 1 229.270 2.930 20 10 BFCDMO CC(C)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000190670654 634402996 /nfs/dbraw/zinc/40/29/96/634402996.db2.gz SGSCBFFKISOFJW-UHFFFAOYSA-N 1 1 231.698 2.930 20 10 BFCDMO CC[C@@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000091930138 631544940 /nfs/dbraw/zinc/54/49/40/631544940.db2.gz PXYVSGIOTSAGFM-GFCCVEGCSA-N 1 1 219.328 2.933 20 10 BFCDMO Cc1ncccc1C[N@H+](C)Cc1ccccc1O ZINC000091974631 631715887 /nfs/dbraw/zinc/71/58/87/631715887.db2.gz HQNAZILVCHHZGV-UHFFFAOYSA-N 1 1 242.322 2.728 20 10 BFCDMO CO[C@H](C)CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000310169402 632705135 /nfs/dbraw/zinc/70/51/35/632705135.db2.gz PCPSGOOBGQZKMP-ZJUUUORDSA-N 1 1 241.306 2.607 20 10 BFCDMO CO[C@@H](C)CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000310169396 634084156 /nfs/dbraw/zinc/08/41/56/634084156.db2.gz PCPSGOOBGQZKMP-UWVGGRQHSA-N 1 1 241.306 2.607 20 10 BFCDMO C[N@H+](Cc1cc2c(cc1O)CCC2)CC1CC1 ZINC000194000409 634302459 /nfs/dbraw/zinc/30/24/59/634302459.db2.gz JDDPTOREPXKDBB-UHFFFAOYSA-N 1 1 231.339 2.723 20 10 BFCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000163953081 640431491 /nfs/dbraw/zinc/43/14/91/640431491.db2.gz NMBDLMBAEFYBME-STQMWFEESA-N 1 1 249.354 2.618 20 10 BFCDMO Cc1cc(C)c(O)c(C[N@H+]2CCOC(C)(C)C2)c1 ZINC000164009788 640434033 /nfs/dbraw/zinc/43/40/33/640434033.db2.gz VNDOBWXMOPJVGI-UHFFFAOYSA-N 1 1 249.354 2.620 20 10 BFCDMO CC[C@H]1CC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164476412 640485953 /nfs/dbraw/zinc/48/59/53/640485953.db2.gz TWALVVCSPJDHRE-LBPRGKRZSA-N 1 1 249.354 2.941 20 10 BFCDMO C[C@H]([NH2+]Cc1ccco1)c1ccc(F)cc1O ZINC000062744664 641085209 /nfs/dbraw/zinc/08/52/09/641085209.db2.gz STSHRRVPYWVILT-VIFPVBQESA-N 1 1 235.258 2.975 20 10 BFCDMO C[C@@H]([NH2+]Cc1cccnc1)c1ccc(F)cc1O ZINC000062745091 641087128 /nfs/dbraw/zinc/08/71/28/641087128.db2.gz TUPYQJCPBOEGLR-SNVBAGLBSA-N 1 1 246.285 2.777 20 10 BFCDMO C[C@H]([NH2+]CCCCF)c1ccc(F)cc1O ZINC000381046085 711505064 /nfs/dbraw/zinc/50/50/64/711505064.db2.gz HAXYBWVKMXIQHE-VIFPVBQESA-N 1 1 229.270 2.932 20 10 BFCDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccccc1O ZINC000179586019 642729822 /nfs/dbraw/zinc/72/98/22/642729822.db2.gz WNTPEQAHUBQCGC-PHIMTYICSA-N 1 1 205.301 2.765 20 10 BFCDMO CC[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1O ZINC000179933797 642753126 /nfs/dbraw/zinc/75/31/26/642753126.db2.gz XVFOTHIWNGFTIA-SECBINFHSA-N 1 1 211.280 2.762 20 10 BFCDMO CSCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000068996515 642819133 /nfs/dbraw/zinc/81/91/33/642819133.db2.gz CQTIJLYFFSJDJS-MRVPVSSYSA-N 1 1 229.320 2.545 20 10 BFCDMO C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975723 643088387 /nfs/dbraw/zinc/08/83/87/643088387.db2.gz UUMQBDKKZPDEKO-UHFFFAOYSA-N 1 1 217.268 2.617 20 10 BFCDMO Cc1cc(O)c(C[N@H+](C)C2CC2)cc1C ZINC000073586073 643688146 /nfs/dbraw/zinc/68/81/46/643688146.db2.gz BEBAFHRFZQZRRC-UHFFFAOYSA-N 1 1 205.301 2.603 20 10 BFCDMO CC[C@H]1C[N@@H+](Cc2cc(C)ccc2O)C[C@H](C)O1 ZINC000092487503 644660066 /nfs/dbraw/zinc/66/00/66/644660066.db2.gz DLPMWKPUQPLWOE-JSGCOSHPSA-N 1 1 249.354 2.700 20 10 BFCDMO CN(C)c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC000093660968 644696402 /nfs/dbraw/zinc/69/64/02/644696402.db2.gz KDFULBBJPZBDTG-GASCZTMLSA-N 1 1 244.382 2.840 20 10 BFCDMO CCc1ncc(C[N@@H+](C)Cc2ccccc2O)o1 ZINC000929976356 646381946 /nfs/dbraw/zinc/38/19/46/646381946.db2.gz NRBJRCWKOFNFHO-UHFFFAOYSA-N 1 1 246.310 2.575 20 10 BFCDMO C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)C1CC1 ZINC000708444673 712195105 /nfs/dbraw/zinc/19/51/05/712195105.db2.gz SYIQRSPAQMIGJL-QMMMGPOBSA-N 1 1 241.281 2.806 20 10 BFCDMO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(F)F ZINC000389930886 711098764 /nfs/dbraw/zinc/09/87/64/711098764.db2.gz DMONVQXJLSZTMA-IONNQARKSA-N 1 1 227.254 2.623 20 10 BFCDMO CC[C@@H]([NH2+]CCSC)c1ccc(F)cc1O ZINC000390674438 711132651 /nfs/dbraw/zinc/13/26/51/711132651.db2.gz WTLXVQMYWJOVDO-LLVKDONJSA-N 1 1 243.347 2.935 20 10 BFCDMO Oc1ccccc1C[NH2+][C@@H]1CCCC1(F)F ZINC000390781845 711135059 /nfs/dbraw/zinc/13/50/59/711135059.db2.gz KPXCHXIYQJZXMM-LLVKDONJSA-N 1 1 227.254 2.670 20 10 BFCDMO C[C@@H]([NH2+]Cc1cocn1)c1ccc(N(C)C)cc1 ZINC000397946030 711398307 /nfs/dbraw/zinc/39/83/07/711398307.db2.gz WYAJNHOUUVRAEO-LLVKDONJSA-N 1 1 245.326 2.591 20 10 BFCDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2ccccc2O)[C@H]1C ZINC000399569602 711431481 /nfs/dbraw/zinc/43/14/81/711431481.db2.gz OGIAAHYUDFSEFB-UTUOFQBUSA-N 1 1 219.328 2.869 20 10 BFCDMO CC(C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000190673539 711776034 /nfs/dbraw/zinc/77/60/34/711776034.db2.gz SSGDNMOIRNTHGG-UHFFFAOYSA-N 1 1 217.671 2.683 20 10 BFCDMO Cc1cccc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c1O ZINC000701720865 712028416 /nfs/dbraw/zinc/02/84/16/712028416.db2.gz MDROBOLVWOADMU-CQSZACIVSA-N 1 1 249.354 2.700 20 10 BFCDMO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708402886 712192698 /nfs/dbraw/zinc/19/26/98/712192698.db2.gz XHOUNLIXZGTIDO-RKDXNWHRSA-N 1 1 241.281 2.901 20 10 BFCDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708402886 712192699 /nfs/dbraw/zinc/19/26/99/712192699.db2.gz XHOUNLIXZGTIDO-RKDXNWHRSA-N 1 1 241.281 2.901 20 10 BFCDMO Oc1c(F)cc(F)cc1C[NH2+]C1CC(F)(F)C1 ZINC000708495551 712212166 /nfs/dbraw/zinc/21/21/66/712212166.db2.gz YXAPZEGCFHRMKX-UHFFFAOYSA-N 1 1 249.207 2.558 20 10 BFCDMO CCc1cccc(C[N@@H+]2CCOC[C@@H]2CC)c1O ZINC000709306548 712219270 /nfs/dbraw/zinc/21/92/70/712219270.db2.gz KQASCLHGDTYJCK-AWEZNQCLSA-N 1 1 249.354 2.565 20 10 BFCDMO CCC[N@@H+](C)Cc1cccc(CC)c1O ZINC000709321887 712219779 /nfs/dbraw/zinc/21/97/79/712219779.db2.gz VUOUCKBCMXBACT-UHFFFAOYSA-N 1 1 207.317 2.796 20 10 BFCDMO C[N@H+](CC[C@H]1CCCCO1)c1ccc(N)cc1 ZINC000711081586 712278850 /nfs/dbraw/zinc/27/88/50/712278850.db2.gz RXNCWDNPLHIYSO-CQSZACIVSA-N 1 1 234.343 2.664 20 10 BFCDMO C[N@@H+](CC[C@H]1CCCCO1)c1ccc(N)cc1 ZINC000711081586 712278852 /nfs/dbraw/zinc/27/88/52/712278852.db2.gz RXNCWDNPLHIYSO-CQSZACIVSA-N 1 1 234.343 2.664 20 10 BFCDMO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1cccc(F)c1O ZINC000716638610 712568592 /nfs/dbraw/zinc/56/85/92/712568592.db2.gz UFQAGGQVOVGPLN-IXOXFDKPSA-N 1 1 249.329 2.913 20 10 BFCDMO CCc1cccc(C[N@@H+](C)CCCF)c1O ZINC000716640044 712568653 /nfs/dbraw/zinc/56/86/53/712568653.db2.gz QMRMOCYVYJHGNS-UHFFFAOYSA-N 1 1 225.307 2.746 20 10 BFCDMO CCc1cccc(C[N@H+]2CCO[C@@H](C)CC2)c1O ZINC000720495112 712847311 /nfs/dbraw/zinc/84/73/11/712847311.db2.gz CAIAGQKVGLPLFD-LBPRGKRZSA-N 1 1 249.354 2.565 20 10 BFCDMO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1F ZINC001140461735 958492278 /nfs/dbraw/zinc/49/22/78/958492278.db2.gz SHBWBKWSABPHGY-KCJUWKMLSA-N 1 1 243.709 2.835 20 10 BFCDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C[C@@H]1F ZINC001140461735 958492290 /nfs/dbraw/zinc/49/22/90/958492290.db2.gz SHBWBKWSABPHGY-KCJUWKMLSA-N 1 1 243.709 2.835 20 10 BFCDMO CCC(CC)[N@@H+](C)Cc1cc(O)ccc1O ZINC001141160521 960893944 /nfs/dbraw/zinc/89/39/44/960893944.db2.gz DNZQBQPOLISXQA-UHFFFAOYSA-N 1 1 223.316 2.718 20 10 BFCDMO CCCC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000163368848 963900354 /nfs/dbraw/zinc/90/03/54/963900354.db2.gz RSEOTGIAPRJSLF-UHFFFAOYSA-N 1 1 220.360 2.985 20 10 BFCDMO Oc1cccc2c1C[N@@H+](CCC1CC1)CC2 ZINC001208688028 969186914 /nfs/dbraw/zinc/18/69/14/969186914.db2.gz JBEHHPUKAFQMRC-UHFFFAOYSA-N 1 1 217.312 2.550 20 10 BFCDMO CC(C)[N@H+](C)Cc1c(O)ccc(F)c1F ZINC001233332085 978561001 /nfs/dbraw/zinc/56/10/01/978561001.db2.gz YCWOIYIULIYPHB-UHFFFAOYSA-N 1 1 215.243 2.511 20 10 BFCDMO CC(C)[N@@H+](C)Cc1c(O)ccc(F)c1F ZINC001233332085 978561008 /nfs/dbraw/zinc/56/10/08/978561008.db2.gz YCWOIYIULIYPHB-UHFFFAOYSA-N 1 1 215.243 2.511 20 10 BFCDMO C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233332410 978569756 /nfs/dbraw/zinc/56/97/56/978569756.db2.gz KEJZHZGIWOWKIC-MRVPVSSYSA-N 1 1 227.254 2.512 20 10 BFCDMO C[C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233332410 978569760 /nfs/dbraw/zinc/56/97/60/978569760.db2.gz KEJZHZGIWOWKIC-MRVPVSSYSA-N 1 1 227.254 2.512 20 10 BFCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233332410 978569765 /nfs/dbraw/zinc/56/97/65/978569765.db2.gz KEJZHZGIWOWKIC-MRVPVSSYSA-N 1 1 227.254 2.512 20 10 BFCDMO CC[C@H]1C[N@@H+](Cc2cc(C)ccc2O)[C@@H](C)CO1 ZINC000403890852 971084789 /nfs/dbraw/zinc/08/47/89/971084789.db2.gz RBNNVWOQTYFVOB-JSGCOSHPSA-N 1 1 249.354 2.700 20 10 BFCDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1CCCOCC1 ZINC001170830746 971948393 /nfs/dbraw/zinc/94/83/93/971948393.db2.gz GLAWHQFLAOEOJO-CQSZACIVSA-N 1 1 249.354 2.783 20 10 BFCDMO Oc1c(F)cccc1C[NH+]1C2CCC1CC2 ZINC000398884031 958424963 /nfs/dbraw/zinc/42/49/63/958424963.db2.gz JYMRTUJICIAWIT-UHFFFAOYSA-N 1 1 221.275 2.658 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](F)C[C@H]2C)c1 ZINC001140617685 960460395 /nfs/dbraw/zinc/46/03/95/960460395.db2.gz XDXDPFXLWDBANA-PWSUYJOCSA-N 1 1 223.291 2.633 20 10 BFCDMO CC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C)ccc1O ZINC001140623403 960465347 /nfs/dbraw/zinc/46/53/47/960465347.db2.gz QLLCOEQJBVSHGS-CQSZACIVSA-N 1 1 247.338 2.644 20 10 BFCDMO Cc1ccc(O)c(C[N@H+]2CCC3(CC3)C2)c1 ZINC001140619889 960466457 /nfs/dbraw/zinc/46/64/57/960466457.db2.gz UCHYWXLBLFDQHK-UHFFFAOYSA-N 1 1 217.312 2.687 20 10 BFCDMO CC[C@@H](C)[N@@H+](C)Cc1ccc(O)c(C)c1O ZINC001140744035 960544836 /nfs/dbraw/zinc/54/48/36/960544836.db2.gz IVKYUJGXFYNXEU-SECBINFHSA-N 1 1 223.316 2.637 20 10 BFCDMO Cc1c(O)ccc(C[N@H+](C)CC(C)(C)C)c1O ZINC001140745398 960554213 /nfs/dbraw/zinc/55/42/13/960554213.db2.gz IPYBDIKJTYMLLT-UHFFFAOYSA-N 1 1 237.343 2.884 20 10 BFCDMO Cc1ccc(C[N@H+](C)C2CC(C)C2)c(O)c1 ZINC001140948178 960747901 /nfs/dbraw/zinc/74/79/01/960747901.db2.gz WTDQNQOKOKCBGQ-UHFFFAOYSA-N 1 1 219.328 2.931 20 10 BFCDMO Cc1ccc(C[N@H+]2CCC[C@@H]2CF)c(O)c1 ZINC001140954033 960762344 /nfs/dbraw/zinc/76/23/44/960762344.db2.gz JQIZPJLTBGRXMN-GFCCVEGCSA-N 1 1 223.291 2.635 20 10 BFCDMO Oc1ccc(O)c(C[NH+]2Cc3ccccc3C2)c1 ZINC001141155756 960893409 /nfs/dbraw/zinc/89/34/09/960893409.db2.gz IXAIQZQDLYRWNM-UHFFFAOYSA-N 1 1 241.290 2.614 20 10 BFCDMO C[C@@H]1CCCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141156693 960893436 /nfs/dbraw/zinc/89/34/36/960893436.db2.gz QUNGNYVZQGLGQQ-LLVKDONJSA-N 1 1 235.327 2.720 20 10 BFCDMO C[C@H]1CCCCC[N@H+]1Cc1cc(O)ccc1O ZINC001141158854 960895323 /nfs/dbraw/zinc/89/53/23/960895323.db2.gz PETFCPSQDPGAEN-NSHDSACASA-N 1 1 235.327 2.862 20 10 BFCDMO C[N@@H+](Cc1cc(O)ccc1O)CC(C)(C)C ZINC001141159324 960895429 /nfs/dbraw/zinc/89/54/29/960895429.db2.gz FAMIPZAYCXZUDU-UHFFFAOYSA-N 1 1 223.316 2.576 20 10 BFCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC001141160366 960895827 /nfs/dbraw/zinc/89/58/27/960895827.db2.gz VZGLALUFRFFYEL-FZMZJTMJSA-N 1 1 247.338 2.862 20 10 BFCDMO C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142501820 961454046 /nfs/dbraw/zinc/45/40/46/961454046.db2.gz BHCYPCGREJMTSN-SECBINFHSA-N 1 1 241.281 2.902 20 10 BFCDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142501820 961454052 /nfs/dbraw/zinc/45/40/52/961454052.db2.gz BHCYPCGREJMTSN-SECBINFHSA-N 1 1 241.281 2.902 20 10 BFCDMO CC[N@H+](Cc1cc(F)c(F)cc1O)C(C)C ZINC001142502517 961456744 /nfs/dbraw/zinc/45/67/44/961456744.db2.gz QOKVLMMUNLBLPR-UHFFFAOYSA-N 1 1 229.270 2.901 20 10 BFCDMO CC[N@@H+](Cc1cc(F)c(F)cc1O)C(C)C ZINC001142502517 961456780 /nfs/dbraw/zinc/45/67/80/961456780.db2.gz QOKVLMMUNLBLPR-UHFFFAOYSA-N 1 1 229.270 2.901 20 10 BFCDMO Oc1cc(F)c(F)cc1C[NH+]1CCCCC1 ZINC001142501859 961457159 /nfs/dbraw/zinc/45/71/59/961457159.db2.gz CVTPRUVMVSNEEF-UHFFFAOYSA-N 1 1 227.254 2.656 20 10 BFCDMO CCc1ccc(C[N@H+]2CCC[C@H](OC)C2)c(O)c1 ZINC001236784341 966533095 /nfs/dbraw/zinc/53/30/95/966533095.db2.gz UZYYDFOBGKRABB-AWEZNQCLSA-N 1 1 249.354 2.565 20 10 BFCDMO COc1cc(C)c(C[N@@H+](C)CC(C)C)c(O)c1 ZINC001236817018 966555396 /nfs/dbraw/zinc/55/53/96/966555396.db2.gz BGQHYNZPGZPEOQ-UHFFFAOYSA-N 1 1 237.343 2.797 20 10 BFCDMO COC[C@H]1CC[N@H+]1Cc1ccc(C(C)C)cc1O ZINC001237051984 966629483 /nfs/dbraw/zinc/62/94/83/966629483.db2.gz SCLKUFVTOGJYIW-CQSZACIVSA-N 1 1 249.354 2.736 20 10 BFCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237489445 966665904 /nfs/dbraw/zinc/66/59/04/966665904.db2.gz HSADBFQFJATDDD-GMXVVIOVSA-N 1 1 235.302 2.633 20 10 BFCDMO CCc1cccc(C[N@H+]2CCOC(C)(C)C2)c1O ZINC000692113449 966764563 /nfs/dbraw/zinc/76/45/63/966764563.db2.gz DCFVQPPKQUKYFQ-UHFFFAOYSA-N 1 1 249.354 2.565 20 10 BFCDMO C[N@@H+](Cc1ccc(O)c(O)c1)C1CCCCC1 ZINC001203873316 966802274 /nfs/dbraw/zinc/80/22/74/966802274.db2.gz BYJZYGFCNAXGCO-UHFFFAOYSA-N 1 1 235.327 2.862 20 10 BFCDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203879100 966804985 /nfs/dbraw/zinc/80/49/85/966804985.db2.gz FIHXVGLPMJCQKI-LLVKDONJSA-N 1 1 235.327 2.720 20 10 BFCDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203878131 966806025 /nfs/dbraw/zinc/80/60/25/966806025.db2.gz BXOZAXFMXVCWDW-WDEREUQCSA-N 1 1 235.327 2.718 20 10 BFCDMO Oc1ccc(C[N@H+]2CCCCC23CC3)c(O)c1 ZINC001204279984 966958446 /nfs/dbraw/zinc/95/84/46/966958446.db2.gz HKBFIEMAHAXCTF-UHFFFAOYSA-N 1 1 233.311 2.616 20 10 BFCDMO Oc1ccccc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000701578914 967815512 /nfs/dbraw/zinc/81/55/12/967815512.db2.gz FBVCHWIYTUVNHI-LBPRGKRZSA-N 1 1 237.318 2.964 20 10 BFCDMO CN(C)c1ccc(CC2=CCC[N@@H+](C)C2)cc1 ZINC001250432196 967849808 /nfs/dbraw/zinc/84/98/08/967849808.db2.gz ZVWQJWFOCXBMLI-UHFFFAOYSA-N 1 1 230.355 2.557 20 10 BFCDMO C[C@@H]1C[C@@H]1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001209434387 969509491 /nfs/dbraw/zinc/50/94/91/969509491.db2.gz YUTQEVFGFOIEPB-ZYHUDNBSSA-N 1 1 247.338 2.502 20 10 BFCDMO Nc1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000400160601 970557330 /nfs/dbraw/zinc/55/73/30/970557330.db2.gz IZDGOSYGVDULCP-CYBMUJFWSA-N 1 1 216.328 2.501 20 10 BFCDMO CCCC[N@@H+](CCOC)Cc1ccc(N)cc1 ZINC001336286166 977614049 /nfs/dbraw/zinc/61/40/49/977614049.db2.gz NNGDYHBJLXHZMW-UHFFFAOYSA-N 1 1 236.359 2.517 20 10 BFCDMO Cc1cccc(C[N@H+]2CCC[C@H]3C[C@H]32)c1O ZINC001231595076 977639740 /nfs/dbraw/zinc/63/97/40/977639740.db2.gz RVELYESEQBQDAK-WCQYABFASA-N 1 1 217.312 2.685 20 10 BFCDMO CC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1O ZINC001231594212 977641777 /nfs/dbraw/zinc/64/17/77/977641777.db2.gz YAFOLJYGMQRABZ-CQSZACIVSA-N 1 1 247.338 2.644 20 10 BFCDMO Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1O ZINC001231594160 977644768 /nfs/dbraw/zinc/64/47/68/977644768.db2.gz UOPJEKWZNMQSNQ-AVGNSLFASA-N 1 1 235.302 2.633 20 10 BFCDMO Cc1cc(C)c(C[N@@H+](C)CC2CC2)c(O)c1 ZINC001231841546 977761141 /nfs/dbraw/zinc/76/11/41/977761141.db2.gz BMNSSNQZEVWLFR-UHFFFAOYSA-N 1 1 219.328 2.851 20 10 BFCDMO Cc1cc(C)c(C[N@H+]2CCOC(C)(C)C2)c(O)c1 ZINC001231842071 977762162 /nfs/dbraw/zinc/76/21/62/977762162.db2.gz JJIZDFNYIWVELC-UHFFFAOYSA-N 1 1 249.354 2.620 20 10 BFCDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232260005 977984891 /nfs/dbraw/zinc/98/48/91/977984891.db2.gz OHBMPDSVZFKAOX-QMMMGPOBSA-N 1 1 241.718 2.593 20 10 BFCDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1O ZINC001232834896 978310237 /nfs/dbraw/zinc/31/02/37/978310237.db2.gz PCZFVRABHDIZIN-GFCCVEGCSA-N 1 1 248.370 2.833 20 10 BFCDMO COC1C[NH+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233284091 978529046 /nfs/dbraw/zinc/52/90/46/978529046.db2.gz HWODJUZUAAXKIU-UHFFFAOYSA-N 1 1 249.354 2.520 20 10 BFCDMO CC[C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336752 978569717 /nfs/dbraw/zinc/56/97/17/978569717.db2.gz YHKFAJQUCMQICC-SECBINFHSA-N 1 1 241.281 2.902 20 10 BFCDMO CC[C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336752 978569722 /nfs/dbraw/zinc/56/97/22/978569722.db2.gz YHKFAJQUCMQICC-SECBINFHSA-N 1 1 241.281 2.902 20 10 BFCDMO Cc1cc(Br)c(O)c(C[NH+](C)C)c1 ZINC001236674307 979693527 /nfs/dbraw/zinc/69/35/27/979693527.db2.gz YAJLMEXNAHDYAB-UHFFFAOYSA-N 1 1 244.132 2.525 20 10 BFCDMO CCc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c(O)c1 ZINC001236787618 979728239 /nfs/dbraw/zinc/72/82/39/979728239.db2.gz IUJOIWYTCYPOMZ-NWDGAFQWSA-N 1 1 249.354 2.564 20 10 BFCDMO CCc1ccc(C[N@@H+]2CCOC[C@@H]2CC)c(O)c1 ZINC001236791751 979736116 /nfs/dbraw/zinc/73/61/16/979736116.db2.gz JWYWFLZKOQMKTJ-AWEZNQCLSA-N 1 1 249.354 2.565 20 10 BFCDMO COc1cc(O)c(C[N@H+]2CC[C@@H]2C)c(Cl)c1 ZINC001236797434 979741161 /nfs/dbraw/zinc/74/11/61/979741161.db2.gz DXVZMDWCFKPBCR-QMMMGPOBSA-N 1 1 241.718 2.648 20 10 BFCDMO COc1cc(C)c(C[N@H+]2CCC[C@H](C)C2)c(O)c1 ZINC001236817713 979748993 /nfs/dbraw/zinc/74/89/93/979748993.db2.gz GOYBNIPSIJPCRY-NSHDSACASA-N 1 1 249.354 2.941 20 10 BFCDMO CCOC1C[NH+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237047062 979806985 /nfs/dbraw/zinc/80/69/85/979806985.db2.gz ZCOMMHMGWYWNJZ-UHFFFAOYSA-N 1 1 249.354 2.736 20 10 BFCDMO CC(C)c1ccc(C[N@H+]2CCCOCC2)c(O)c1 ZINC001237044925 979808572 /nfs/dbraw/zinc/80/85/72/979808572.db2.gz FVFYRASEWAQPBA-UHFFFAOYSA-N 1 1 249.354 2.738 20 10 BFCDMO CC[N@@H+](C)Cc1ccc(C(C)C)cc1O ZINC001237048834 979810539 /nfs/dbraw/zinc/81/05/39/979810539.db2.gz XDRTVTKPZPMCBL-UHFFFAOYSA-N 1 1 207.317 2.967 20 10 BFCDMO COC[C@H]1CCCC[N@H+]1Cc1c(C)cccc1O ZINC001237484870 979910804 /nfs/dbraw/zinc/91/08/04/979910804.db2.gz JFVORKTVPCEEIM-CYBMUJFWSA-N 1 1 249.354 2.702 20 10 BFCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]1CF ZINC001237495372 979919656 /nfs/dbraw/zinc/91/96/56/979919656.db2.gz QPANLXUNLKYUJT-LLVKDONJSA-N 1 1 223.291 2.635 20 10 BFCDMO CO[C@@H]1CC[N@@H+](Cc2c(C)cccc2O)[C@H](C)C1 ZINC001237490912 979920068 /nfs/dbraw/zinc/92/00/68/979920068.db2.gz JHYZUEKIKDEIEA-CHWSQXEVSA-N 1 1 249.354 2.700 20 10 BFCDMO Cc1cc(F)cc(C[N@@H+]2CCC[C@H](F)C2)c1O ZINC001238060649 980131874 /nfs/dbraw/zinc/13/18/74/980131874.db2.gz DEENZNQJSXVXHY-NSHDSACASA-N 1 1 241.281 2.774 20 10 BFCDMO Cc1cc(F)cc(C[N@H+]2CCC[C@H](F)C2)c1O ZINC001238060649 980131878 /nfs/dbraw/zinc/13/18/78/980131878.db2.gz DEENZNQJSXVXHY-NSHDSACASA-N 1 1 241.281 2.774 20 10 BFCDMO CSCC[N@@H+](C)Cc1cc(F)cc(C)c1O ZINC001238068091 980137406 /nfs/dbraw/zinc/13/74/06/980137406.db2.gz UENXAMMBVNMGRX-UHFFFAOYSA-N 1 1 243.347 2.635 20 10 BFCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1 ZINC001203931476 982905914 /nfs/dbraw/zinc/90/59/14/982905914.db2.gz QZRWIAHCILULEI-AEGPPILISA-N 1 1 248.345 2.542 20 10 BFCDMO C[N@@H+](Cc1ccccc1O)[C@H]1CCCSC1 ZINC001257682426 985269404 /nfs/dbraw/zinc/26/94/04/985269404.db2.gz YPSWMCFSEFXACP-LBPRGKRZSA-N 1 1 237.368 2.720 20 10 BFCDMO CCc1cccc(C[N@H+]2C[C@H](C)OC[C@H]2C)c1O ZINC000692115514 985409152 /nfs/dbraw/zinc/40/91/52/985409152.db2.gz NJFPTQSGJRBGED-NEPJUHHUSA-N 1 1 249.354 2.564 20 10 BFCDMO CCc1cccc(C[N@@H+](C)C(C)C)c1O ZINC000692106863 985412457 /nfs/dbraw/zinc/41/24/57/985412457.db2.gz SGTHJYOTZXNGAG-UHFFFAOYSA-N 1 1 207.317 2.795 20 10 BFCDMO Cc1cccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000827506995 986895845 /nfs/dbraw/zinc/89/58/45/986895845.db2.gz QQAULVYQBFAMKZ-DGCLKSJQSA-N 1 1 217.312 2.542 20 10 BFCDMO C[N@@H+](Cc1ccccc1O)[C@H]1CCOC(C)(C)C1 ZINC001255546740 987003332 /nfs/dbraw/zinc/00/33/32/987003332.db2.gz QZXYBIPCKBHZGQ-ZDUSSCGKSA-N 1 1 249.354 2.782 20 10 BFCDMO C[C@]1(C[N@H+]2Cc3cccc(O)c3C2)CCCCO1 ZINC001474677573 987797892 /nfs/dbraw/zinc/79/78/92/987797892.db2.gz PYKQPNSDCAKBJG-OAHLLOKOSA-N 1 1 247.338 2.667 20 10 BFCDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)[C@H](C)N ZINC001326472625 989572402 /nfs/dbraw/zinc/57/24/02/989572402.db2.gz PCAJMJOSBMYCRV-KXNHARMFSA-N 1 1 248.370 2.574 20 10 BFCDMO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC(C)(C)N ZINC001326473858 989574193 /nfs/dbraw/zinc/57/41/93/989574193.db2.gz PBALUVNHZXZOEL-WDEREUQCSA-N 1 1 248.370 2.576 20 10 BFCDMO Oc1cccc(F)c1C[N@@H+]1CCC2(CCC2)C1 ZINC001137838842 990855844 /nfs/dbraw/zinc/85/58/44/990855844.db2.gz LLPYZNPUKSHZNJ-UHFFFAOYSA-N 1 1 235.302 2.907 20 10 BFCDMO Oc1cccc(F)c1C[N@H+]1CCC2(CCC2)C1 ZINC001137838842 990855847 /nfs/dbraw/zinc/85/58/47/990855847.db2.gz LLPYZNPUKSHZNJ-UHFFFAOYSA-N 1 1 235.302 2.907 20 10 BFCDMO C[C@@]1(CF)CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137832729 990856963 /nfs/dbraw/zinc/85/69/63/990856963.db2.gz FRWXYDNFDHGXJL-ZDUSSCGKSA-N 1 1 241.281 2.713 20 10 BFCDMO C[C@@]1(CF)CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137832729 990856964 /nfs/dbraw/zinc/85/69/64/990856964.db2.gz FRWXYDNFDHGXJL-ZDUSSCGKSA-N 1 1 241.281 2.713 20 10 BFCDMO CCCC[N@H+](C)Cc1c(O)cccc1F ZINC001137832000 990857700 /nfs/dbraw/zinc/85/77/00/990857700.db2.gz WGGUYCANJAQTGP-UHFFFAOYSA-N 1 1 211.280 2.763 20 10 BFCDMO CCCC[N@@H+](C)Cc1c(O)cccc1F ZINC001137832000 990857702 /nfs/dbraw/zinc/85/77/02/990857702.db2.gz WGGUYCANJAQTGP-UHFFFAOYSA-N 1 1 211.280 2.763 20 10 BFCDMO CC1(C)[C@@H]2C[N@H+](Cc3c([O-])cccc3F)C[C@@H]21 ZINC001137838909 990858834 /nfs/dbraw/zinc/85/88/34/990858834.db2.gz MGAQJRPLYYFHFM-PHIMTYICSA-N 1 1 235.302 2.619 20 10 BFCDMO CC1(C)[C@@H]2C[N@@H+](Cc3c(O)cccc3F)C[C@@H]21 ZINC001137838909 990858839 /nfs/dbraw/zinc/85/88/39/990858839.db2.gz MGAQJRPLYYFHFM-PHIMTYICSA-N 1 1 235.302 2.619 20 10 BFCDMO CC1(C)[C@@H]2C[N@H+](Cc3c(O)cccc3F)C[C@@H]21 ZINC001137838909 990858840 /nfs/dbraw/zinc/85/88/40/990858840.db2.gz MGAQJRPLYYFHFM-PHIMTYICSA-N 1 1 235.302 2.619 20 10 BFCDMO C[C@H]1C[N@H+](Cc2cccc(F)c2O)C2(CC2)C1 ZINC001138129926 990885623 /nfs/dbraw/zinc/88/56/23/990885623.db2.gz ZMCKFNMRXOIYDH-SNVBAGLBSA-N 1 1 235.302 2.906 20 10 BFCDMO C[C@H]1C[N@@H+](Cc2cccc(F)c2O)C2(CC2)C1 ZINC001138129926 990885624 /nfs/dbraw/zinc/88/56/24/990885624.db2.gz ZMCKFNMRXOIYDH-SNVBAGLBSA-N 1 1 235.302 2.906 20 10 BFCDMO C[N@@H+](Cc1ccccc1O)C[C@@]1(C)CCCCO1 ZINC001308623862 991063298 /nfs/dbraw/zinc/06/32/98/991063298.db2.gz IBCNYDUYOYPBRE-OAHLLOKOSA-N 1 1 249.354 2.783 20 10 BFCDMO CC(C)(CF)[NH2+]Cc1cc(F)c(F)cc1O ZINC001308701382 991100602 /nfs/dbraw/zinc/10/06/02/991100602.db2.gz ISXFYZRUZSACAC-UHFFFAOYSA-N 1 1 233.233 2.508 20 10 BFCDMO Oc1ccc(F)cc1C[N@@H+]1CCc2occc2C1 ZINC001140058813 991508611 /nfs/dbraw/zinc/50/86/11/991508611.db2.gz MLASEWYXCKOGQC-UHFFFAOYSA-N 1 1 247.269 2.683 20 10 BFCDMO Oc1ccc(F)cc1C[N@H+]1CCc2occc2C1 ZINC001140058813 991508624 /nfs/dbraw/zinc/50/86/24/991508624.db2.gz MLASEWYXCKOGQC-UHFFFAOYSA-N 1 1 247.269 2.683 20 10 BFCDMO CO[C@H]1CCC[N@@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178799 991550352 /nfs/dbraw/zinc/55/03/52/991550352.db2.gz XWCSSLWFDZPRPG-ZDUSSCGKSA-N 1 1 249.354 2.620 20 10 BFCDMO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]2C)c1O ZINC001140178207 991552067 /nfs/dbraw/zinc/55/20/67/991552067.db2.gz CMTLTCXUVHNVOU-NSHDSACASA-N 1 1 205.301 2.603 20 10 BFCDMO Cc1ccc(C)c(C[N@@H+]2CCC[C@H]2C)c1O ZINC001140179750 991552925 /nfs/dbraw/zinc/55/29/25/991552925.db2.gz OEJSHIKSYVKJTD-GFCCVEGCSA-N 1 1 219.328 2.993 20 10 BFCDMO C[C@@H]1CC[N@H+]1Cc1c(O)cccc1Cl ZINC001140338022 991610165 /nfs/dbraw/zinc/61/01/65/991610165.db2.gz RPGPPRXPPHLQIM-MRVPVSSYSA-N 1 1 211.692 2.640 20 10 BFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2C)c1 ZINC000124384058 398338931 /nfs/dbraw/zinc/33/89/31/398338931.db2.gz YMFDEJORJDNWDO-NSHDSACASA-N 1 1 235.327 2.775 20 10 BFCDMO CC[NH+](CC)Cc1cc(F)cc(C(C)=O)c1O ZINC000037322550 343343341 /nfs/dbraw/zinc/34/33/41/343343341.db2.gz MGPVAYWPKZNTFA-UHFFFAOYSA-N 1 1 239.290 2.576 20 10 BFCDMO CC[N@@H+](Cc1cccc(C)c1O)C1CC1 ZINC000179683934 346992543 /nfs/dbraw/zinc/99/25/43/346992543.db2.gz GSGJMAKMOCAVKY-UHFFFAOYSA-N 1 1 205.301 2.685 20 10 BFCDMO CC[N@@H+](Cc1ccccn1)Cc1ccccc1O 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/nfs/dbraw/zinc/25/79/97/588257997.db2.gz KNTHHGODQUOSGJ-CYBMUJFWSA-N 1 1 237.318 2.943 20 10 BFCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1C=CCC1 ZINC000850358362 588538821 /nfs/dbraw/zinc/53/88/21/588538821.db2.gz BVKJQNGUFGPZIB-QMMMGPOBSA-N 1 1 241.693 2.993 20 10 BFCDMO CO[C@H](C[N@@H+](C)Cc1ccccc1O)C1CCC1 ZINC000851840181 588634422 /nfs/dbraw/zinc/63/44/22/588634422.db2.gz BDOKKCUFLDREST-OAHLLOKOSA-N 1 1 249.354 2.639 20 10 BFCDMO CN(C)c1cc(F)c(C[N@@H+](C)C2CC2)cc1F ZINC000862220954 589195102 /nfs/dbraw/zinc/19/51/02/589195102.db2.gz SEBAKVFEGQHYKK-UHFFFAOYSA-N 1 1 240.297 2.625 20 10 BFCDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1Cl ZINC000862444146 589213921 /nfs/dbraw/zinc/21/39/21/589213921.db2.gz YODVRYGCXGXLGI-AOOOYVTPSA-N 1 1 237.730 2.806 20 10 BFCDMO C[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000124324452 589976249 /nfs/dbraw/zinc/97/62/49/589976249.db2.gz YIBHKMRTCMNAKC-LLVKDONJSA-N 1 1 236.334 2.876 20 10 BFCDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(C)c1O ZINC000124512065 590036831 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/nfs/dbraw/zinc/22/48/82/590224882.db2.gz FPUXTBIZOKLXGJ-CHWSQXEVSA-N 1 1 249.354 2.700 20 10 BFCDMO CCOCC[N@@H+](CC)Cc1c(C)cccc1O ZINC000876645422 590225884 /nfs/dbraw/zinc/22/58/84/590225884.db2.gz OCPKXHKCAZDDCA-UHFFFAOYSA-N 1 1 237.343 2.559 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+](C)CC1CCOCC1 ZINC000876720813 590233574 /nfs/dbraw/zinc/23/35/74/590233574.db2.gz JBIOPLAANQNZTD-UHFFFAOYSA-N 1 1 249.354 2.559 20 10 BFCDMO Cc1ccc(C[N@@H+]2CCSC[C@H]2C)c(O)c1 ZINC000876737961 590235241 /nfs/dbraw/zinc/23/52/41/590235241.db2.gz XHNCECPKRJMEOS-LLVKDONJSA-N 1 1 237.368 2.638 20 10 BFCDMO Cc1ccc(C[N@H+](C)C2CCC2)c(O)c1 ZINC000876745262 590235773 /nfs/dbraw/zinc/23/57/73/590235773.db2.gz JICBPELRTYTNMO-UHFFFAOYSA-N 1 1 205.301 2.685 20 10 BFCDMO Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)c(O)c1 ZINC000877164655 590294837 /nfs/dbraw/zinc/29/48/37/590294837.db2.gz BZRHPDGVEDHARR-AAEUAGOBSA-N 1 1 237.318 2.881 20 10 BFCDMO CO[C@@H]1C[N@@H+](Cc2c(C)cccc2O)CC[C@H]1C ZINC000877463151 590332208 /nfs/dbraw/zinc/33/22/08/590332208.db2.gz BZOLXPPOYNBVCG-IUODEOHRSA-N 1 1 249.354 2.557 20 10 BFCDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877488184 590338567 /nfs/dbraw/zinc/33/85/67/590338567.db2.gz ZFCRWHZXFPACKR-HNNXBMFYSA-N 1 1 249.354 2.702 20 10 BFCDMO CO[C@]1(C)CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877487767 590339247 /nfs/dbraw/zinc/33/92/47/590339247.db2.gz VUHVDURYMCVRJJ-OAHLLOKOSA-N 1 1 249.354 2.702 20 10 BFCDMO CC[C@H]1CC[N@H+]1Cc1c(C)cccc1O ZINC000877547624 590354771 /nfs/dbraw/zinc/35/47/71/590354771.db2.gz DASKEWPHJDTBIM-NSHDSACASA-N 1 1 205.301 2.685 20 10 BFCDMO CS[C@@H]1CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877562928 590360095 /nfs/dbraw/zinc/36/00/95/590360095.db2.gz FEONRQVCGPEFNE-LLVKDONJSA-N 1 1 237.368 2.638 20 10 BFCDMO COC1(C[N@H+]2Cc3cccc(O)c3C2)CCCC1 ZINC000877703084 590395416 /nfs/dbraw/zinc/39/54/16/590395416.db2.gz QTNUFYHBSWZREC-UHFFFAOYSA-N 1 1 247.338 2.667 20 10 BFCDMO CC[C@H](C)[C@@H](C[N@H+]1Cc2cccc(O)c2C1)OC ZINC000877703163 590395937 /nfs/dbraw/zinc/39/59/37/590395937.db2.gz UGIBWTHRTLIYAD-XHDPSFHLSA-N 1 1 249.354 2.769 20 10 BFCDMO Cc1ncc(C[N@@H+]2Cc3cccc(O)c3C2)s1 ZINC000877703700 590397831 /nfs/dbraw/zinc/39/78/31/590397831.db2.gz QCYIDSICNIOSNK-UHFFFAOYSA-N 1 1 246.335 2.673 20 10 BFCDMO Cc1ncc(C[N@H+]2Cc3cccc(O)c3C2)s1 ZINC000877703700 590397834 /nfs/dbraw/zinc/39/78/34/590397834.db2.gz QCYIDSICNIOSNK-UHFFFAOYSA-N 1 1 246.335 2.673 20 10 BFCDMO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000128526251 591113100 /nfs/dbraw/zinc/11/31/00/591113100.db2.gz BGUULALWPDGSRN-KOLCDFICSA-N 1 1 223.291 2.810 20 10 BFCDMO CC(C)(F)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883193063 591568410 /nfs/dbraw/zinc/56/84/10/591568410.db2.gz NODVCKVKENZLAD-UHFFFAOYSA-N 1 1 233.233 2.508 20 10 BFCDMO CC[C@H](C)[N@@H+](C)Cc1cc(OC)ccc1O ZINC000132516470 591714591 /nfs/dbraw/zinc/71/45/91/591714591.db2.gz LULGDNPGNDTXAX-JTQLQIEISA-N 1 1 223.316 2.631 20 10 BFCDMO CCC[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000132574592 591720811 /nfs/dbraw/zinc/72/08/11/591720811.db2.gz XMUHOIAZIOEAFR-UHFFFAOYSA-N 1 1 213.708 2.887 20 10 BFCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)C1CC1 ZINC000886491999 592237084 /nfs/dbraw/zinc/23/70/84/592237084.db2.gz ZOOOEARYUZHQCG-BDAKNGLRSA-N 1 1 223.291 2.980 20 10 BFCDMO COCCCC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886504270 592239206 /nfs/dbraw/zinc/23/92/06/592239206.db2.gz YIYUELOTDZLHPI-JTQLQIEISA-N 1 1 241.306 2.609 20 10 BFCDMO C[C@H]([NH2+]CC1CCC1)c1c(O)cccc1F ZINC000886513112 592240964 /nfs/dbraw/zinc/24/09/64/592240964.db2.gz UHYPDFGONBYISG-VIFPVBQESA-N 1 1 223.291 2.982 20 10 BFCDMO C[C@H]([NH2+]CC1(C)CC1)c1c(O)cccc1F ZINC000886550265 592256729 /nfs/dbraw/zinc/25/67/29/592256729.db2.gz WJHPOZHYJWUNFH-VIFPVBQESA-N 1 1 223.291 2.982 20 10 BFCDMO C[C@@H]([NH2+][C@H](C)c1c(O)cccc1F)c1cn[nH]c1 ZINC000886556575 592260087 /nfs/dbraw/zinc/26/00/87/592260087.db2.gz FUFHBMFNFJOJHU-RKDXNWHRSA-N 1 1 249.289 2.666 20 10 BFCDMO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886612697 592276074 /nfs/dbraw/zinc/27/60/74/592276074.db2.gz RTFGHYPNYJVYKC-BBBLOLIVSA-N 1 1 241.306 2.605 20 10 BFCDMO C[C@@H]([NH2+][C@H]1CC12CC2)c1c(O)cccc1F ZINC000886629933 592281517 /nfs/dbraw/zinc/28/15/17/592281517.db2.gz QSLAKNAXCPCESU-KCJUWKMLSA-N 1 1 221.275 2.734 20 10 BFCDMO C/C=C/C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886643031 592287220 /nfs/dbraw/zinc/28/72/20/592287220.db2.gz JCALGSFTSGKVTL-CDAZIORVSA-N 1 1 209.264 2.758 20 10 BFCDMO C[C@H]([NH2+]CC(C)(C)F)c1c(O)cccc1F ZINC000886645242 592288063 /nfs/dbraw/zinc/28/80/63/592288063.db2.gz UUYBFUWJXRTLEW-QMMMGPOBSA-N 1 1 229.270 2.930 20 10 BFCDMO CCc1cnc(C[NH2+][C@H](C)c2ccccc2O)o1 ZINC000223661576 592537365 /nfs/dbraw/zinc/53/73/65/592537365.db2.gz HNCUAJAWPQKIQY-SNVBAGLBSA-N 1 1 246.310 2.793 20 10 BFCDMO Cc1ccc(O)c(C[N@H+]2C[C@H](C)C[C@H]2C)c1 ZINC000228290367 635458655 /nfs/dbraw/zinc/45/86/55/635458655.db2.gz AZCVUXKZNCFGAD-VXGBXAGGSA-N 1 1 219.328 2.931 20 10 BFCDMO CC[N@@H+](Cc1cc(C)cc(C)c1O)C1CC1 ZINC000178849383 635734539 /nfs/dbraw/zinc/73/45/39/635734539.db2.gz NVEVURXTAJGXJL-UHFFFAOYSA-N 1 1 219.328 2.993 20 10 BFCDMO Cc1cc(C)c(O)c(C[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000178891786 635755806 /nfs/dbraw/zinc/75/58/06/635755806.db2.gz VDQDMLDWAPOTHL-ZDUSSCGKSA-N 1 1 249.354 2.620 20 10 BFCDMO Oc1c(F)cccc1C[NH2+]CCC1CCC1 ZINC000163178730 633049552 /nfs/dbraw/zinc/04/95/52/633049552.db2.gz DJVYEARYWVFPFV-UHFFFAOYSA-N 1 1 223.291 2.811 20 10 BFCDMO Cc1ccc(C[NH+]2CC(C(F)(F)F)C2)c(O)c1 ZINC000894891385 636000261 /nfs/dbraw/zinc/00/02/61/636000261.db2.gz ZVMFDYTXSSLTLS-UHFFFAOYSA-N 1 1 245.244 2.695 20 10 BFCDMO C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(F)c2O)C1 ZINC000163164732 636079834 /nfs/dbraw/zinc/07/98/34/636079834.db2.gz OIZYMBBMDCWDNS-ZJUUUORDSA-N 1 1 223.291 2.762 20 10 BFCDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(F)c2O)C1 ZINC000163164732 636079838 /nfs/dbraw/zinc/07/98/38/636079838.db2.gz OIZYMBBMDCWDNS-ZJUUUORDSA-N 1 1 223.291 2.762 20 10 BFCDMO C[C@@H]1C[C@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000309777568 633732251 /nfs/dbraw/zinc/73/22/51/633732251.db2.gz MABACQNVGJNQPV-SFYZADRCSA-N 1 1 243.709 2.930 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2ccns2)c1 ZINC000895453256 636145489 /nfs/dbraw/zinc/14/54/89/636145489.db2.gz HIMHYVXSQFFPAL-UHFFFAOYSA-N 1 1 248.351 2.789 20 10 BFCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccco2)cc1 ZINC000128493510 637079592 /nfs/dbraw/zinc/07/95/92/637079592.db2.gz KAUBVFLNFPGAKB-UHFFFAOYSA-N 1 1 244.338 2.978 20 10 BFCDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@H](C)CC2)c1 ZINC000905741494 637904942 /nfs/dbraw/zinc/90/49/42/637904942.db2.gz WKQQXTDTQWZIHN-CYBMUJFWSA-N 1 1 249.354 2.620 20 10 BFCDMO COc1cc(C)cc(C[N@@H+](C)CC2CC2)c1O ZINC000164190373 640454602 /nfs/dbraw/zinc/45/46/02/640454602.db2.gz RJVPSOWLSOSELD-UHFFFAOYSA-N 1 1 235.327 2.551 20 10 BFCDMO Cc1cc(C)c(O)c(C[N@@H+](C)C[C@@H]2CCCO2)c1 ZINC000164354991 640472733 /nfs/dbraw/zinc/47/27/33/640472733.db2.gz RCYWFJWOZJKVNQ-AWEZNQCLSA-N 1 1 249.354 2.620 20 10 BFCDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000226565681 640775751 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583543415 /nfs/dbraw/zinc/54/34/15/583543415.db2.gz BUVMDZCKPSJJFM-GFCCVEGCSA-N 1 1 239.265 2.655 20 10 BFCDMO CCC1C[NH+](Cc2cc(F)cc(F)c2O)C1 ZINC000894969710 583560386 /nfs/dbraw/zinc/56/03/86/583560386.db2.gz PZGSBKOKJSVFSY-UHFFFAOYSA-N 1 1 227.254 2.512 20 10 BFCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](CF)C1 ZINC000895546250 583690037 /nfs/dbraw/zinc/69/00/37/583690037.db2.gz YUTHTPVWNBSBOQ-GFCCVEGCSA-N 1 1 237.318 2.882 20 10 BFCDMO Cc1cc(O)c(C[NH+]2CC(OC(C)C)C2)cc1C ZINC000895954631 583752093 /nfs/dbraw/zinc/75/20/93/583752093.db2.gz DEGRENQNKOTKBO-UHFFFAOYSA-N 1 1 249.354 2.618 20 10 BFCDMO Oc1cccc(F)c1C[NH2+][C@H]1CCC12CCC2 ZINC000896637224 583818911 /nfs/dbraw/zinc/81/89/11/583818911.db2.gz JAFQWTMKPPYHLF-ZDUSSCGKSA-N 1 1 235.302 2.954 20 10 BFCDMO C[C@H]([NH2+]Cc1c(O)cccc1F)[C@H]1CC1(F)F ZINC000896638940 583819898 /nfs/dbraw/zinc/81/98/98/583819898.db2.gz RZLWMXVTNMEXSK-IONNQARKSA-N 1 1 245.244 2.665 20 10 BFCDMO Oc1cccc(F)c1C[NH2+][C@H]1CCCSC1 ZINC000896637706 583819932 /nfs/dbraw/zinc/81/99/32/583819932.db2.gz QJQKNBDATWXKOF-VIFPVBQESA-N 1 1 241.331 2.517 20 10 BFCDMO Oc1cccc(F)c1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000896639510 583819942 /nfs/dbraw/zinc/81/99/42/583819942.db2.gz VQDQGRZGBJRYOK-GXFFZTMASA-N 1 1 235.302 2.810 20 10 BFCDMO Oc1cccc(F)c1C[NH2+][C@H]1CCCC12CC2 ZINC000896638022 583820037 /nfs/dbraw/zinc/82/00/37/583820037.db2.gz NKVNHOKOPBCESO-ZDUSSCGKSA-N 1 1 235.302 2.954 20 10 BFCDMO CC(C)(C)C[NH2+]Cc1c(O)cccc1F ZINC000896640688 583820402 /nfs/dbraw/zinc/82/04/02/583820402.db2.gz LVKZYZLUKVEUMZ-UHFFFAOYSA-N 1 1 211.280 2.667 20 10 BFCDMO CCc1ccc(C[NH2+]Cc2c(O)cccc2F)o1 ZINC000896641438 583820446 /nfs/dbraw/zinc/82/04/46/583820446.db2.gz RLECGRXRZSLFKC-UHFFFAOYSA-N 1 1 249.285 2.977 20 10 BFCDMO CCO[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000902527125 584632904 /nfs/dbraw/zinc/63/29/04/584632904.db2.gz AFGZHOKVQJCISG-AWEZNQCLSA-N 1 1 249.354 2.620 20 10 BFCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCCOC[C@@H]2C)c1 ZINC000754740184 585290264 /nfs/dbraw/zinc/29/02/64/585290264.db2.gz KIIAQUXBEVLCBR-ZDUSSCGKSA-N 1 1 249.354 2.620 20 10 BFCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](C)C2)c1O ZINC000754729542 585290302 /nfs/dbraw/zinc/29/03/02/585290302.db2.gz BCBCKIGYMDGJTN-SNVBAGLBSA-N 1 1 235.327 2.551 20 10 BFCDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@H]2C)c(O)cc1C ZINC000768445800 585538720 /nfs/dbraw/zinc/53/87/20/585538720.db2.gz JNVGSEYUNPQQOI-CMPLNLGQSA-N 1 1 249.354 2.940 20 10 BFCDMO COc1cccc(O)c1C[N@@H+]1CC=C(C)CC1 ZINC000769446951 585556904 /nfs/dbraw/zinc/55/69/04/585556904.db2.gz QSBBNISGSSAKAI-UHFFFAOYSA-N 1 1 233.311 2.553 20 10 BFCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000770283852 585572634 /nfs/dbraw/zinc/57/26/34/585572634.db2.gz NRSNMEMVDPSDIK-GHMZBOCLSA-N 1 1 235.327 2.631 20 10 BFCDMO Cc1cccc(C[N@H+](C)Cc2cccn2C)c1O ZINC000775714146 585683361 /nfs/dbraw/zinc/68/33/61/585683361.db2.gz RIBZHPDPWKYGDP-UHFFFAOYSA-N 1 1 244.338 2.671 20 10 BFCDMO CCN(C)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000776858634 585706229 /nfs/dbraw/zinc/70/62/29/585706229.db2.gz GMBSLCUVDMICRK-UHFFFAOYSA-N 1 1 229.327 2.696 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000783736826 585841632 /nfs/dbraw/zinc/84/16/32/585841632.db2.gz FSOUPNWRFFTMJU-YNEHKIRRSA-N 1 1 249.354 2.698 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000783736823 585841695 /nfs/dbraw/zinc/84/16/95/585841695.db2.gz FSOUPNWRFFTMJU-XQQFMLRXSA-N 1 1 249.354 2.698 20 10 BFCDMO CN(C)c1ccc(C[N@@H+](C)CC2(F)CC2)cc1 ZINC000792761338 586004630 /nfs/dbraw/zinc/00/46/30/586004630.db2.gz LHAMZQMPVRZRTF-UHFFFAOYSA-N 1 1 236.334 2.687 20 10 BFCDMO CC[C@H]([NH2+][C@H](C)COC)c1ccc(F)cc1O ZINC000796662638 586109489 /nfs/dbraw/zinc/10/94/89/586109489.db2.gz GBMMJIFNGHLONE-SKDRFNHKSA-N 1 1 241.306 2.607 20 10 BFCDMO CC[C@H]([NH2+][C@@H](C)COC)c1ccc(F)cc1O ZINC000796662636 586109596 /nfs/dbraw/zinc/10/95/96/586109596.db2.gz GBMMJIFNGHLONE-CABZTGNLSA-N 1 1 241.306 2.607 20 10 BFCDMO Cc1cc(C[N@@H+]2CC[C@@H](C)C2)ccc1N(C)C ZINC000815033394 586664321 /nfs/dbraw/zinc/66/43/21/586664321.db2.gz ZMYJLMQKBNBTRQ-GFCCVEGCSA-N 1 1 232.371 2.903 20 10 BFCDMO COC1(CC[N@@H+](C)Cc2ccccc2O)CCC1 ZINC000815069850 586665172 /nfs/dbraw/zinc/66/51/72/586665172.db2.gz HKVAZKLKAQCBLS-UHFFFAOYSA-N 1 1 249.354 2.783 20 10 BFCDMO Cc1cc(C[N@@H+]2C[C@H](C)[C@H]2C)ccc1N(C)C ZINC000815162795 586671220 /nfs/dbraw/zinc/67/12/20/586671220.db2.gz JHZRLCJZOFWLFH-QWHCGFSZSA-N 1 1 232.371 2.901 20 10 BFCDMO Cc1cc(C[N@@H+]2C[C@H](C)[C@@H]2C)ccc1N(C)C ZINC000815162796 586671625 /nfs/dbraw/zinc/67/16/25/586671625.db2.gz JHZRLCJZOFWLFH-STQMWFEESA-N 1 1 232.371 2.901 20 10 BFCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)[C@H]2C)cc1C ZINC000816647584 586750699 /nfs/dbraw/zinc/75/06/99/586750699.db2.gz VGXBTDRJADXIDR-NWDGAFQWSA-N 1 1 219.328 2.849 20 10 BFCDMO CC[C@H]([NH2+]Cc1cccc(C)c1O)C(F)F ZINC000824510161 587272814 /nfs/dbraw/zinc/27/28/14/587272814.db2.gz RTSCKEAVRWVLQP-JTQLQIEISA-N 1 1 229.270 2.834 20 10 BFCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H]2C2CC2)c1 ZINC000824650132 587280590 /nfs/dbraw/zinc/28/05/90/587280590.db2.gz JJNHURXPBZXOKH-ZDUSSCGKSA-N 1 1 217.312 2.685 20 10 BFCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H]2C2CC2)c1 ZINC000824650137 587281127 /nfs/dbraw/zinc/28/11/27/587281127.db2.gz JLKYYVSJCCWVPH-AWEZNQCLSA-N 1 1 247.338 2.775 20 10 BFCDMO COC[C@H]1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000825321326 587314624 /nfs/dbraw/zinc/31/46/24/587314624.db2.gz CDGUUJZUQSJTGB-ZDUSSCGKSA-N 1 1 249.354 2.641 20 10 BFCDMO Oc1ccccc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826539435 587354449 /nfs/dbraw/zinc/35/44/49/587354449.db2.gz TXFMBLHUAGGQBQ-AAEUAGOBSA-N 1 1 217.312 2.767 20 10 BFCDMO CCOc1cccc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1O ZINC000827506724 587384490 /nfs/dbraw/zinc/38/44/90/587384490.db2.gz KVNBCSLYQPAUGW-AAEUAGOBSA-N 1 1 247.338 2.633 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+](C)CC2=CCSC2)c1 ZINC000827805899 587403532 /nfs/dbraw/zinc/40/35/32/587403532.db2.gz NIUINMFKVBCPBO-UHFFFAOYSA-N 1 1 249.379 2.806 20 10 BFCDMO COc1ccc(O)c(C[N@@H+](C)C[C@H]2CC2(C)C)c1 ZINC000827942847 587411989 /nfs/dbraw/zinc/41/19/89/587411989.db2.gz SRSCQNXFAPCAME-GFCCVEGCSA-N 1 1 249.354 2.879 20 10 BFCDMO COc1ccc(O)c(C[N@@H+](C)C[C@@H]2CC2(C)C)c1 ZINC000827942849 587412044 /nfs/dbraw/zinc/41/20/44/587412044.db2.gz SRSCQNXFAPCAME-LBPRGKRZSA-N 1 1 249.354 2.879 20 10 BFCDMO Cc1cc(C[N@H+]2CC[C@@H](F)C2)ccc1N(C)C ZINC000830480121 587553894 /nfs/dbraw/zinc/55/38/94/587553894.db2.gz MLPWCJURLRFALO-CYBMUJFWSA-N 1 1 236.334 2.605 20 10 BFCDMO COc1cccc(O)c1C[N@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000841891291 587982018 /nfs/dbraw/zinc/98/20/18/587982018.db2.gz XRYJCKRLWZMUTK-SDDRHHMPSA-N 1 1 249.354 2.877 20 10 BFCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](F)C2)cc1C ZINC000846119937 588258218 /nfs/dbraw/zinc/25/82/18/588258218.db2.gz KNTHHGODQUOSGJ-ZDUSSCGKSA-N 1 1 237.318 2.943 20 10 BFCDMO CCc1cccc(C[N@H+](C)Cc2ccon2)c1O ZINC000848887947 588417649 /nfs/dbraw/zinc/41/76/49/588417649.db2.gz IVLWKYSSBQQOCZ-UHFFFAOYSA-N 1 1 246.310 2.575 20 10 BFCDMO CCc1cccc(C[N@@H+](C)Cc2ccon2)c1O ZINC000848887947 588417650 /nfs/dbraw/zinc/41/76/50/588417650.db2.gz IVLWKYSSBQQOCZ-UHFFFAOYSA-N 1 1 246.310 2.575 20 10 BFCDMO Cc1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)ccc1N(C)C ZINC000852634155 588693274 /nfs/dbraw/zinc/69/32/74/588693274.db2.gz KVQXTSQGBLJBSN-GJZGRUSLSA-N 1 1 244.382 2.903 20 10 BFCDMO Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1O ZINC000862443529 589213823 /nfs/dbraw/zinc/21/38/23/589213823.db2.gz QNQLKIOUBJRHOI-AOOOYVTPSA-N 1 1 237.730 2.806 20 10 BFCDMO CC[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1ccccc1O ZINC000863546056 589297671 /nfs/dbraw/zinc/29/76/71/589297671.db2.gz IYZMQZMYWPUXLG-DYEKYZERSA-N 1 1 248.370 2.573 20 10 BFCDMO CCO[C@@H]1CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000876512819 590206198 /nfs/dbraw/zinc/20/61/98/590206198.db2.gz ZAWXKMAVNCDLKI-CYBMUJFWSA-N 1 1 249.354 2.702 20 10 BFCDMO CC[N@@H+](Cc1c(C)cccc1O)C1CC1 ZINC000876575388 590217725 /nfs/dbraw/zinc/21/77/25/590217725.db2.gz COYKOAIZUWFTDP-UHFFFAOYSA-N 1 1 205.301 2.685 20 10 BFCDMO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)c(O)c1 ZINC000876634429 590224203 /nfs/dbraw/zinc/22/42/03/590224203.db2.gz REVBAGAIIMNJTD-AWEZNQCLSA-N 1 1 249.354 2.702 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000876637292 590225310 /nfs/dbraw/zinc/22/53/10/590225310.db2.gz URCUUNCYZPBNNR-GFCCVEGCSA-N 1 1 249.354 2.700 20 10 BFCDMO CC[C@H]1C[N@@H+](Cc2c(C)cccc2O)C[C@H](C)O1 ZINC000876638231 590225316 /nfs/dbraw/zinc/22/53/16/590225316.db2.gz FPUXTBIZOKLXGJ-STQMWFEESA-N 1 1 249.354 2.700 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1C ZINC000876723903 590233165 /nfs/dbraw/zinc/23/31/65/590233165.db2.gz ZQTFNPNOKQOKHR-LLVKDONJSA-N 1 1 205.301 2.685 20 10 BFCDMO Cc1cccc(O)c1C[N@H+](C)C1CCC1 ZINC000876744336 590236553 /nfs/dbraw/zinc/23/65/53/590236553.db2.gz BVMIDOOXVWYJBK-UHFFFAOYSA-N 1 1 205.301 2.685 20 10 BFCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)C[C@H]1C ZINC000876760755 590239002 /nfs/dbraw/zinc/23/90/02/590239002.db2.gz XFUDUWNYXYTOFS-CMPLNLGQSA-N 1 1 219.328 2.931 20 10 BFCDMO Cc1cccc(O)c1C[N@H+]1C[C@H](C)C[C@H]1C ZINC000876760758 590239209 /nfs/dbraw/zinc/23/92/09/590239209.db2.gz XFUDUWNYXYTOFS-ZYHUDNBSSA-N 1 1 219.328 2.931 20 10 BFCDMO Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]2C)c(O)c1 ZINC000876799184 590242488 /nfs/dbraw/zinc/24/24/88/590242488.db2.gz AOSHBVUUBWXDFZ-VXGBXAGGSA-N 1 1 219.328 2.931 20 10 BFCDMO Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H]2C)c(O)c1 ZINC000876799182 590242875 /nfs/dbraw/zinc/24/28/75/590242875.db2.gz AOSHBVUUBWXDFZ-NWDGAFQWSA-N 1 1 219.328 2.931 20 10 BFCDMO COC(C)(C)C[N@@H+](C)Cc1c(C)cccc1O ZINC000876808978 590244865 /nfs/dbraw/zinc/24/48/65/590244865.db2.gz OEKYBZHWRBPSJT-UHFFFAOYSA-N 1 1 237.343 2.557 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+](C)CCC1CC1 ZINC000876812223 590245299 /nfs/dbraw/zinc/24/52/99/590245299.db2.gz SGCNQOZQLKCOGZ-UHFFFAOYSA-N 1 1 219.328 2.933 20 10 BFCDMO Cc1ccc(C[N@@H+](C)CCC2CC2)c(O)c1 ZINC000876810503 590245561 /nfs/dbraw/zinc/24/55/61/590245561.db2.gz AHJDSGSUFXZGBY-UHFFFAOYSA-N 1 1 219.328 2.933 20 10 BFCDMO CO[C@H]1C[N@@H+](Cc2c(C)cccc2O)CC[C@@H]1C ZINC000877463153 590332155 /nfs/dbraw/zinc/33/21/55/590332155.db2.gz BZOLXPPOYNBVCG-WFASDCNBSA-N 1 1 249.354 2.557 20 10 BFCDMO CC[C@@]1(C)C[N@@H+](Cc2c(C)cccc2O)CCO1 ZINC000877463291 590333022 /nfs/dbraw/zinc/33/30/22/590333022.db2.gz CENOGBLYEQNTNB-HNNXBMFYSA-N 1 1 249.354 2.702 20 10 BFCDMO COC[C@]1(C)CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877559322 590358474 /nfs/dbraw/zinc/35/84/74/590358474.db2.gz VASPHJHJRZPWSK-OAHLLOKOSA-N 1 1 249.354 2.559 20 10 BFCDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877559321 590358704 /nfs/dbraw/zinc/35/87/04/590358704.db2.gz VASPHJHJRZPWSK-HNNXBMFYSA-N 1 1 249.354 2.559 20 10 BFCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H]1C1CC1 ZINC000877561275 590359574 /nfs/dbraw/zinc/35/95/74/590359574.db2.gz DMCIOOKNQJTDSY-ZDUSSCGKSA-N 1 1 217.312 2.685 20 10 BFCDMO Cc1ccc(Cn2c[nH+]c3c2CCCC3)c(O)c1 ZINC000877647968 590383741 /nfs/dbraw/zinc/38/37/41/590383741.db2.gz ATXDICCUEJAGMA-UHFFFAOYSA-N 1 1 242.322 2.824 20 10 BFCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CC(C)(C)CO1 ZINC000878241070 590528209 /nfs/dbraw/zinc/52/82/09/590528209.db2.gz ALEOFFMZXPBWHB-ZDUSSCGKSA-N 1 1 249.354 2.639 20 10 BFCDMO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000128526716 591112619 /nfs/dbraw/zinc/11/26/19/591112619.db2.gz BGUULALWPDGSRN-MWLCHTKSSA-N 1 1 223.291 2.810 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000132751264 591735224 /nfs/dbraw/zinc/73/52/24/591735224.db2.gz RKAWZRQJVURBGJ-TXEJJXNPSA-N 1 1 219.328 2.788 20 10 BFCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C(C)C)C2)c1 ZINC000135749742 592044736 /nfs/dbraw/zinc/04/47/36/592044736.db2.gz BIAKNUNLXJEFIF-LBPRGKRZSA-N 1 1 249.354 2.879 20 10 BFCDMO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1c(O)cccc1F ZINC000886513348 592241103 /nfs/dbraw/zinc/24/11/03/592241103.db2.gz ZHKHYKLNEGNASR-GUBZILKMSA-N 1 1 223.291 2.838 20 10 BFCDMO CO[C@H](C)CC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886521170 592244372 /nfs/dbraw/zinc/24/43/72/592244372.db2.gz WDTCXVFWIFGHEA-ZJUUUORDSA-N 1 1 241.306 2.607 20 10 BFCDMO C/C=C\C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886643033 592287762 /nfs/dbraw/zinc/28/77/62/592287762.db2.gz JCALGSFTSGKVTL-TYRPZCRBSA-N 1 1 209.264 2.758 20 10 BFCDMO Cc1cnc(C[NH2+][C@@H](C)c2ccccc2O)o1 ZINC000223660957 592537381 /nfs/dbraw/zinc/53/73/81/592537381.db2.gz AONGEFRKYGJCER-JTQLQIEISA-N 1 1 232.283 2.539 20 10 BFCDMO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(F)cc1O ZINC000309288912 631992673 /nfs/dbraw/zinc/99/26/73/631992673.db2.gz JFIOFBIJZYAQTM-PTRXPTGYSA-N 1 1 223.291 2.980 20 10 BFCDMO C[N@@H+](Cc1cc2c(cc1O)CCCC2)C1CC1 ZINC000179437718 632713171 /nfs/dbraw/zinc/71/31/71/632713171.db2.gz CIPAUXJNEKOMDL-UHFFFAOYSA-N 1 1 231.339 2.865 20 10 BFCDMO C[C@@H]1SCC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000309845918 633833997 /nfs/dbraw/zinc/83/39/97/633833997.db2.gz TXFVQNZQDNPVLP-GZMMTYOYSA-N 1 1 241.331 2.515 20 10 BFCDMO CC(C)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000053899206 635164402 /nfs/dbraw/zinc/16/44/02/635164402.db2.gz COCOSBBLSNDPFP-UHFFFAOYSA-N 1 1 220.360 2.840 20 10 BFCDMO CC[C@H]([NH2+]Cc1c(O)cccc1F)C1CC1 ZINC000896644765 636209217 /nfs/dbraw/zinc/20/92/17/636209217.db2.gz YZSSGPHWHSLRJE-LBPRGKRZSA-N 1 1 223.291 2.810 20 10 BFCDMO C[C@@H]([NH2+][C@@H](C)c1ncccn1)c1ccccc1O ZINC000931553919 640272349 /nfs/dbraw/zinc/27/23/49/640272349.db2.gz IMOIEJFGFLSECL-MNOVXSKESA-N 1 1 243.310 2.594 20 10 BFCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2C)c1O ZINC000164430835 640482438 /nfs/dbraw/zinc/48/24/38/640482438.db2.gz XTCNEAPKKQLVJV-NSHDSACASA-N 1 1 235.327 2.694 20 10 BFCDMO C[N@H+](CC1CCCC1)c1ccc(N)cc1 ZINC000058563238 640720699 /nfs/dbraw/zinc/72/06/99/640720699.db2.gz WOYDSDVLIZCIER-UHFFFAOYSA-N 1 1 204.317 2.895 20 10 BFCDMO C[N@@H+](CC1CCCC1)c1ccc(N)cc1 ZINC000058563238 640720706 /nfs/dbraw/zinc/72/07/06/640720706.db2.gz WOYDSDVLIZCIER-UHFFFAOYSA-N 1 1 204.317 2.895 20 10 BFCDMO C[N@@H+](Cc1ccccc1O)C[Si](C)(C)C ZINC000171926744 641021171 /nfs/dbraw/zinc/02/11/71/641021171.db2.gz JXOROFDZWANETL-UHFFFAOYSA-N 1 1 223.392 2.701 20 10 BFCDMO C[C@H]([NH2+]CC1(C)CC1)c1ccc(F)cc1O ZINC000230667969 641078839 /nfs/dbraw/zinc/07/88/39/641078839.db2.gz NLDUDSDMULYHSA-VIFPVBQESA-N 1 1 223.291 2.982 20 10 BFCDMO C[N@H+]1CCC[C@H]1CSc1ncc(Cl)s1 ZINC000918096590 642169061 /nfs/dbraw/zinc/16/90/61/642169061.db2.gz WCEVWBMCXMSCNW-ZETCQYMHSA-N 1 1 248.804 2.983 20 10 BFCDMO Cc1cc(C[NH2+][C@H](C)c2ccccc2O)no1 ZINC000044692268 643548593 /nfs/dbraw/zinc/54/85/93/643548593.db2.gz WLZBGRDDTNLJPS-SNVBAGLBSA-N 1 1 232.283 2.539 20 10 BFCDMO CC[C@H]1CC[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160386288 643568560 /nfs/dbraw/zinc/56/85/60/643568560.db2.gz XTOVZAZDHKJBON-LBPRGKRZSA-N 1 1 249.354 2.941 20 10 BFCDMO COC[C@H]1CCCC[N@H+]1Cc1cccc(C)c1O ZINC000307768726 643643699 /nfs/dbraw/zinc/64/36/99/643643699.db2.gz HUDHDUAONBCACT-CQSZACIVSA-N 1 1 249.354 2.702 20 10 BFCDMO CC[C@H](C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000195002900 644355972 /nfs/dbraw/zinc/35/59/72/644355972.db2.gz MAGHVKYPKMCLSW-LBPRGKRZSA-N 1 1 220.360 2.983 20 10 BFCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](C)[C@H]2C)c1O ZINC000246377976 644584736 /nfs/dbraw/zinc/58/47/36/644584736.db2.gz HEGATEVGILEQPD-VXGBXAGGSA-N 1 1 249.354 2.940 20 10 BFCDMO CC[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000091929084 644643100 /nfs/dbraw/zinc/64/31/00/644643100.db2.gz FBMKRMAGHJCNJA-CYBMUJFWSA-N 1 1 232.371 2.985 20 10 BFCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1C ZINC000251072041 644790810 /nfs/dbraw/zinc/79/08/10/644790810.db2.gz MLISERKPYUDFGN-CHWSQXEVSA-N 1 1 249.354 2.618 20 10 BFCDMO CC[C@@H]([NH3+])CN[C@H](CC)c1ccc(N(C)C)cc1 ZINC000817979837 644992259 /nfs/dbraw/zinc/99/22/59/644992259.db2.gz PRKSWKYAGJPWAR-UKRRQHHQSA-N 1 1 249.402 2.531 20 10 BFCDMO CC[C@@H](N)C[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000817979837 644992264 /nfs/dbraw/zinc/99/22/64/644992264.db2.gz PRKSWKYAGJPWAR-UKRRQHHQSA-N 1 1 249.402 2.531 20 10 BFCDMO Oc1c(F)cccc1C[NH2+]CCCc1ccco1 ZINC000827674093 645084726 /nfs/dbraw/zinc/08/47/26/645084726.db2.gz LULBEHVKZTXJIB-UHFFFAOYSA-N 1 1 249.285 2.847 20 10 BFCDMO CCCCOCC[N@@H+](C)Cc1ccccc1O ZINC000120767014 645724695 /nfs/dbraw/zinc/72/46/95/645724695.db2.gz HXHDPSOJCOKCDL-UHFFFAOYSA-N 1 1 237.343 2.641 20 10 BFCDMO CS[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000164636350 711682594 /nfs/dbraw/zinc/68/25/94/711682594.db2.gz QMIVGPYKHKABKZ-RKDXNWHRSA-N 1 1 243.347 2.933 20 10 BFCDMO Oc1c(F)cc(F)cc1C[NH+]1CCCCC1 ZINC000708399239 711956529 /nfs/dbraw/zinc/95/65/29/711956529.db2.gz KJMAFXRKQKGXAA-UHFFFAOYSA-N 1 1 227.254 2.656 20 10 BFCDMO Cc1cccc(C[N@H+]2CCC[C@H](F)C2)c1O ZINC000701674095 712027226 /nfs/dbraw/zinc/02/72/26/712027226.db2.gz OOVXANFXZISIJE-LBPRGKRZSA-N 1 1 223.291 2.635 20 10 BFCDMO CC1(C)CC([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708442642 712194992 /nfs/dbraw/zinc/19/49/92/712194992.db2.gz NWOBXAVTHRBCPD-UHFFFAOYSA-N 1 1 241.281 2.949 20 10 BFCDMO C/C=C/C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000384906439 712704554 /nfs/dbraw/zinc/70/45/54/712704554.db2.gz PBLRPOPICRXGQS-CDAZIORVSA-N 1 1 209.264 2.758 20 10 BFCDMO CC(C)[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000159196444 712722883 /nfs/dbraw/zinc/72/28/83/712722883.db2.gz AOEMGMIRPRVDKX-GFCCVEGCSA-N 1 1 219.328 2.870 20 10 BFCDMO CC(C)OCCC[N@H+](C)c1ccc(N)cc1 ZINC000383546882 710982916 /nfs/dbraw/zinc/98/29/16/710982916.db2.gz NAPJVLCDINDKMB-UHFFFAOYSA-N 1 1 222.332 2.520 20 10 BFCDMO CC(C)OCCC[N@@H+](C)c1ccc(N)cc1 ZINC000383546882 710982918 /nfs/dbraw/zinc/98/29/18/710982918.db2.gz NAPJVLCDINDKMB-UHFFFAOYSA-N 1 1 222.332 2.520 20 10 BFCDMO Oc1ccccc1C[NH2+][C@H]1CCCC1(F)F ZINC000390781846 711134931 /nfs/dbraw/zinc/13/49/31/711134931.db2.gz KPXCHXIYQJZXMM-NSHDSACASA-N 1 1 227.254 2.670 20 10 BFCDMO Cc1cccc(C[N@H+](C)C(C)(C)C)c1O ZINC000381947021 710759299 /nfs/dbraw/zinc/75/92/99/710759299.db2.gz ZFCWZKRJEAAPRI-UHFFFAOYSA-N 1 1 207.317 2.931 20 10 BFCDMO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(F)cc1O ZINC000397731588 711390693 /nfs/dbraw/zinc/39/06/93/711390693.db2.gz DKHNSIGKSAHHQF-MWGHHZFTSA-N 1 1 235.302 2.980 20 10 BFCDMO Cc1nc(C[NH2+][C@H](C)c2ccccc2O)oc1C ZINC000223661742 711754574 /nfs/dbraw/zinc/75/45/74/711754574.db2.gz SNFGKDADGATHMP-SNVBAGLBSA-N 1 1 246.310 2.848 20 10 BFCDMO Cc1cccc(C[N@H+]2C[C@@H](C)C[C@H]2C)c1O ZINC000228177453 711834039 /nfs/dbraw/zinc/83/40/39/711834039.db2.gz MZLUZOJRMKHDQY-CMPLNLGQSA-N 1 1 219.328 2.931 20 10 BFCDMO CC1(C)CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708401401 712193052 /nfs/dbraw/zinc/19/30/52/712193052.db2.gz RHDZEUVKZNYUDE-UHFFFAOYSA-N 1 1 241.281 2.902 20 10 BFCDMO CC1(C)CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708401401 712193053 /nfs/dbraw/zinc/19/30/53/712193053.db2.gz RHDZEUVKZNYUDE-UHFFFAOYSA-N 1 1 241.281 2.902 20 10 BFCDMO CC(C)(F)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708516727 712211808 /nfs/dbraw/zinc/21/18/08/712211808.db2.gz KRIUHCQYGRRAOD-UHFFFAOYSA-N 1 1 247.260 2.898 20 10 BFCDMO CCc1cccc(C[N@H+]2CCOCC2(C)C)c1O ZINC000709310325 712219773 /nfs/dbraw/zinc/21/97/73/712219773.db2.gz XOYMGBMNYCVUSR-UHFFFAOYSA-N 1 1 249.354 2.565 20 10 BFCDMO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1cccc(F)c1O ZINC000716638616 712568641 /nfs/dbraw/zinc/56/86/41/712568641.db2.gz UFQAGGQVOVGPLN-XEZLXBQYSA-N 1 1 249.329 2.913 20 10 BFCDMO CC1CC(C[N@H+](C)c2ccc(N)cc2)C1 ZINC000691084525 965726417 /nfs/dbraw/zinc/72/64/17/965726417.db2.gz JZKILUVHNFMXHC-UHFFFAOYSA-N 1 1 204.317 2.751 20 10 BFCDMO CC1CC(C[N@@H+](C)c2ccc(N)cc2)C1 ZINC000691084525 965726426 /nfs/dbraw/zinc/72/64/26/965726426.db2.gz JZKILUVHNFMXHC-UHFFFAOYSA-N 1 1 204.317 2.751 20 10 BFCDMO Oc1ccc(F)c(F)c1C[NH+]1CCCCC1 ZINC001233331681 978563862 /nfs/dbraw/zinc/56/38/62/978563862.db2.gz GPHALRMMKZIPJE-UHFFFAOYSA-N 1 1 227.254 2.656 20 10 BFCDMO CC[N@@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237118720 979820941 /nfs/dbraw/zinc/82/09/41/979820941.db2.gz ATFLXOVXCDGNCR-UHFFFAOYSA-N 1 1 249.232 2.743 20 10 BFCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]3C[C@H]32)c1 ZINC001140623845 960467703 /nfs/dbraw/zinc/46/77/03/960467703.db2.gz UQYXHYOZGVWJHB-WCQYABFASA-N 1 1 217.312 2.685 20 10 BFCDMO CC[C@@H]1CC[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140750070 960549091 /nfs/dbraw/zinc/54/90/91/960549091.db2.gz UUYSGIBNZVLFMD-LLVKDONJSA-N 1 1 235.327 2.638 20 10 BFCDMO C[C@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C[C@H]1C ZINC001141156264 960889748 /nfs/dbraw/zinc/88/97/48/960889748.db2.gz ITNCGUPAFNBPBG-NWDGAFQWSA-N 1 1 249.354 2.966 20 10 BFCDMO CCCCC[N@@H+](C)Cc1cc(O)ccc1O ZINC001141156189 960889765 /nfs/dbraw/zinc/88/97/65/960889765.db2.gz STZMCTSWTAEVBI-UHFFFAOYSA-N 1 1 223.316 2.720 20 10 BFCDMO C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2O)CC1 ZINC001141156619 960893113 /nfs/dbraw/zinc/89/31/13/960893113.db2.gz OTQDXAKMWWUJEF-LLVKDONJSA-N 1 1 235.327 2.720 20 10 BFCDMO C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2O)[C@H]1C ZINC001141158940 960895021 /nfs/dbraw/zinc/89/50/21/960895021.db2.gz SHRUVPPWZMKLNV-MNOVXSKESA-N 1 1 235.327 2.718 20 10 BFCDMO C[N@H+](Cc1cc(O)ccc1O)C[C@H]1CC1(C)C ZINC001141161179 960895868 /nfs/dbraw/zinc/89/58/68/960895868.db2.gz OBFSQIZQFBWYMD-LLVKDONJSA-N 1 1 235.327 2.576 20 10 BFCDMO CC[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1O ZINC001141160439 960896268 /nfs/dbraw/zinc/89/62/68/960896268.db2.gz YLXHCDPNJOHTFX-LBPRGKRZSA-N 1 1 235.327 2.862 20 10 BFCDMO COC1C[NH+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143104608 961880862 /nfs/dbraw/zinc/88/08/62/961880862.db2.gz WCNOMKLEBRYVHE-UHFFFAOYSA-N 1 1 249.354 2.520 20 10 BFCDMO CCc1cccc(C[NH2+]CC(C)(F)F)c1O ZINC000697640705 964383795 /nfs/dbraw/zinc/38/37/95/964383795.db2.gz SKVKWFBZLQBHGN-UHFFFAOYSA-N 1 1 229.270 2.699 20 10 BFCDMO C[C@@]1(F)CC[N@@H+](Cc2ccccc2O)C[C@H]1F ZINC001203550512 966677296 /nfs/dbraw/zinc/67/72/96/966677296.db2.gz WSCNSXLZKPTCLJ-CHWSQXEVSA-N 1 1 241.281 2.664 20 10 BFCDMO Oc1ccccc1C[N@H+]1CCCC[C@H](F)C1 ZINC001203549936 966685172 /nfs/dbraw/zinc/68/51/72/966685172.db2.gz DEPQHUSIYBEPSJ-LBPRGKRZSA-N 1 1 223.291 2.716 20 10 BFCDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203880008 966805534 /nfs/dbraw/zinc/80/55/34/966805534.db2.gz LZHRJIGNESWWMK-PHIMTYICSA-N 1 1 235.327 2.576 20 10 BFCDMO 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Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c1O ZINC000162815057 179084246 /nfs/dbraw/zinc/08/42/46/179084246.db2.gz JXQFVDNPJAEBCM-WCQYABFASA-N 1 1 217.312 2.685 20 10 BFCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000378492393 188252386 /nfs/dbraw/zinc/25/23/86/188252386.db2.gz HRJMVLBKLFALNK-ZDUSSCGKSA-N 1 1 235.302 2.906 20 10 BFCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000378492393 188252388 /nfs/dbraw/zinc/25/23/88/188252388.db2.gz HRJMVLBKLFALNK-ZDUSSCGKSA-N 1 1 235.302 2.906 20 10 BFCDMO CC(C)[C@H](C)[N@@H+](C)Cc1ccc(N)cc1 ZINC000036786410 188278971 /nfs/dbraw/zinc/27/89/71/188278971.db2.gz OKFVGRMHYPILLS-NSHDSACASA-N 1 1 206.333 2.745 20 10 BFCDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000230299755 188363321 /nfs/dbraw/zinc/36/33/21/188363321.db2.gz NJSJNKLYNUSRHU-OAHLLOKOSA-N 1 1 249.354 2.702 20 10 BFCDMO CCC[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000130050495 169080937 /nfs/dbraw/zinc/08/09/37/169080937.db2.gz YQRDMLVDYWXVKS-UHFFFAOYSA-N 1 1 243.734 2.896 20 10 BFCDMO Oc1c(F)cccc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000160253650 183255784 /nfs/dbraw/zinc/25/57/84/183255784.db2.gz MFOOAWKRVHPFQB-GHMZBOCLSA-N 1 1 235.302 2.763 20 10 BFCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]1CF ZINC000294103414 183292773 /nfs/dbraw/zinc/29/27/73/183292773.db2.gz SHCPVQBQHHSUOH-VIFPVBQESA-N 1 1 243.709 2.980 20 10 BFCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]1CF ZINC000294103410 183293298 /nfs/dbraw/zinc/29/32/98/183293298.db2.gz SHCPVQBQHHSUOH-SECBINFHSA-N 1 1 243.709 2.980 20 10 BFCDMO Oc1ccccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000361054112 183301511 /nfs/dbraw/zinc/30/15/11/183301511.db2.gz UASOCIXATLPZFG-LBPRGKRZSA-N 1 1 217.312 2.624 20 10 BFCDMO Oc1ccccc1C[N@H+]1CCC2(CCC2)C1 ZINC000179576128 183302503 /nfs/dbraw/zinc/30/25/03/183302503.db2.gz ZLFWKQQNJDUSHC-UHFFFAOYSA-N 1 1 217.312 2.768 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+](C)C[C@H]2CCCCO2)c1 ZINC000132597285 384238281 /nfs/dbraw/zinc/23/82/81/384238281.db2.gz HIIMPNNNTSOWFG-CQSZACIVSA-N 1 1 249.354 2.702 20 10 BFCDMO CCOc1cccc(C[N@@H+](C)C2CCC2)c1O ZINC000093475779 384241991 /nfs/dbraw/zinc/24/19/91/384241991.db2.gz NVYCJWIXSFDABI-UHFFFAOYSA-N 1 1 235.327 2.775 20 10 BFCDMO C[N@H+](Cc1ccccc1O)CC1CCC1 ZINC000173358731 384675565 /nfs/dbraw/zinc/67/55/65/384675565.db2.gz FVWMBHQGHJPQSA-UHFFFAOYSA-N 1 1 205.301 2.624 20 10 BFCDMO C[C@H]([NH2+]CC1CC1)c1ccc(F)cc1O ZINC000062744710 385185350 /nfs/dbraw/zinc/18/53/50/385185350.db2.gz UTYUOFYBNSHMPW-QMMMGPOBSA-N 1 1 209.264 2.592 20 10 BFCDMO CC[C@]1(C)C[N@@H+](Cc2cccc(C)c2O)CCO1 ZINC000191149965 385287535 /nfs/dbraw/zinc/28/75/35/385287535.db2.gz IBOWYYVSZRDZFX-OAHLLOKOSA-N 1 1 249.354 2.702 20 10 BFCDMO C[N@@H+](Cc1cc(F)ccc1O)C1CCCC1 ZINC000179893631 385498452 /nfs/dbraw/zinc/49/84/52/385498452.db2.gz HJJLHBRKLWDBKQ-UHFFFAOYSA-N 1 1 223.291 2.906 20 10 BFCDMO CCOC[C@@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000180621859 385534781 /nfs/dbraw/zinc/53/47/81/385534781.db2.gz YPWQBNGDNJHDAX-CYBMUJFWSA-N 1 1 249.354 2.559 20 10 BFCDMO CO[C@H]1CC[N@@H+](Cc2cc(C)ccc2O)[C@H](C)C1 ZINC000282125095 385734254 /nfs/dbraw/zinc/73/42/54/385734254.db2.gz AZXNYRMLADQKNA-OCCSQVGLSA-N 1 1 249.354 2.700 20 10 BFCDMO CCOCC[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000285599971 385948202 /nfs/dbraw/zinc/94/82/02/385948202.db2.gz JSEWJFCLIUKHOD-GFCCVEGCSA-N 1 1 241.306 2.609 20 10 BFCDMO CCC1(C)C[NH+](Cc2cccc(F)c2O)C1 ZINC000297308025 386241268 /nfs/dbraw/zinc/24/12/68/386241268.db2.gz CBRZMILFEMHWIZ-UHFFFAOYSA-N 1 1 223.291 2.763 20 10 BFCDMO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000290091856 386392419 /nfs/dbraw/zinc/39/24/19/386392419.db2.gz HKSKMFPCBDZPLZ-OPRDCNLKSA-N 1 1 241.306 2.605 20 10 BFCDMO CC[C@@H]([NH2+]CCF)c1ccc(F)cc1O ZINC000287271025 387400130 /nfs/dbraw/zinc/40/01/30/387400130.db2.gz CLAPFKDZDZXTHA-SNVBAGLBSA-N 1 1 215.243 2.542 20 10 BFCDMO CC(C)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062744703 167012959 /nfs/dbraw/zinc/01/29/59/167012959.db2.gz LEYIQYZTOGXOJX-SECBINFHSA-N 1 1 211.280 2.838 20 10 BFCDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C)ccc1O ZINC000131483350 171109478 /nfs/dbraw/zinc/10/94/78/171109478.db2.gz LKEGQVOAGLYMPS-GXTWGEPZSA-N 1 1 249.354 2.700 20 10 BFCDMO COCCCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062748338 174204030 /nfs/dbraw/zinc/20/40/30/174204030.db2.gz PFOITGUFFAEGOX-SNVBAGLBSA-N 1 1 241.306 2.609 20 10 BFCDMO COc1ccc(O)c(C[N@H+]2CCC(C)=C(C)C2)c1 ZINC000280912758 175157659 /nfs/dbraw/zinc/15/76/59/175157659.db2.gz QOPAZUDHNVXRAZ-UHFFFAOYSA-N 1 1 247.338 2.943 20 10 BFCDMO C[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000165409772 176101581 /nfs/dbraw/zinc/10/15/81/176101581.db2.gz CXLVRFROGRWHLK-SNVBAGLBSA-N 1 1 223.291 2.763 20 10 BFCDMO C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000165409772 176101584 /nfs/dbraw/zinc/10/15/84/176101584.db2.gz CXLVRFROGRWHLK-SNVBAGLBSA-N 1 1 223.291 2.763 20 10 BFCDMO C[C@@H]1CC[N@@H+](Cc2ccccc2O)CCS1 ZINC000190685390 176176030 /nfs/dbraw/zinc/17/60/30/176176030.db2.gz WTUMTWITECRPNS-LLVKDONJSA-N 1 1 237.368 2.720 20 10 BFCDMO C[C@H]1CCC[N@@H+]1Cc1cccc(F)c1O ZINC000165415763 177110657 /nfs/dbraw/zinc/11/06/57/177110657.db2.gz LCWDUJFBTNUFBT-VIFPVBQESA-N 1 1 209.264 2.516 20 10 BFCDMO C[C@H]1CCC[N@H+]1Cc1cccc(F)c1O ZINC000165415763 177110658 /nfs/dbraw/zinc/11/06/58/177110658.db2.gz LCWDUJFBTNUFBT-VIFPVBQESA-N 1 1 209.264 2.516 20 10 BFCDMO C[C@H]1C[N@H+](Cc2ccccc2O)CC[C@@H]1C ZINC000161349746 177165959 /nfs/dbraw/zinc/16/59/59/177165959.db2.gz NUFCLMJECQZJCV-RYUDHWBXSA-N 1 1 219.328 2.870 20 10 BFCDMO CC(C)C1C[NH+](Cc2cc(F)cc(F)c2O)C1 ZINC000894597970 583493725 /nfs/dbraw/zinc/49/37/25/583493725.db2.gz URPIMRYZDKSVEF-UHFFFAOYSA-N 1 1 241.281 2.758 20 10 BFCDMO C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2O)[C@H]1C ZINC000894862460 583537061 /nfs/dbraw/zinc/53/70/61/583537061.db2.gz YUIKOGASBYUDDJ-YUMQZZPRSA-N 1 1 227.254 2.511 20 10 BFCDMO C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)[C@H]1C ZINC000894862460 583537062 /nfs/dbraw/zinc/53/70/62/583537062.db2.gz YUIKOGASBYUDDJ-YUMQZZPRSA-N 1 1 227.254 2.511 20 10 BFCDMO CCc1cccc(C[NH+]2CC(OC(C)C)C2)c1O ZINC000895955910 583752815 /nfs/dbraw/zinc/75/28/15/583752815.db2.gz XSVWZKRKXOEXFO-UHFFFAOYSA-N 1 1 249.354 2.564 20 10 BFCDMO C[C@@H]1CCC[C@@H]1[NH2+]Cc1c(O)cccc1F ZINC000896636935 583818964 /nfs/dbraw/zinc/81/89/64/583818964.db2.gz JFODGXKTMNPEJN-SKDRFNHKSA-N 1 1 223.291 2.810 20 10 BFCDMO C[C@H]([NH2+]Cc1c(O)cccc1F)C1CCC1 ZINC000896637206 583819332 /nfs/dbraw/zinc/81/93/32/583819332.db2.gz KROFWRPFJKPNQO-VIFPVBQESA-N 1 1 223.291 2.810 20 10 BFCDMO Oc1cccc(F)c1C[NH2+]C1CC(C(F)F)C1 ZINC000896638900 583819894 /nfs/dbraw/zinc/81/98/94/583819894.db2.gz YXNAMPHTPBYXLR-UHFFFAOYSA-N 1 1 245.244 2.665 20 10 BFCDMO C/C=C/C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000858291028 588942272 /nfs/dbraw/zinc/94/22/72/588942272.db2.gz MDAJFCKTDFEJJY-NSCUHMNNSA-N 1 1 229.682 2.850 20 10 BFCDMO Cc1nc(C)c(C[N@H+](C)Cc2ccccc2O)o1 ZINC000788021075 583933821 /nfs/dbraw/zinc/93/38/21/583933821.db2.gz XLCHCSAGBOZENC-UHFFFAOYSA-N 1 1 246.310 2.629 20 10 BFCDMO C[C@H]([NH2+]Cc1ccon1)c1ccc(N(C)C)cc1 ZINC000148634013 584019700 /nfs/dbraw/zinc/01/97/00/584019700.db2.gz UNYGANKEUQBZOT-NSHDSACASA-N 1 1 245.326 2.591 20 10 BFCDMO COc1cccc(O)c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000898070919 584082709 /nfs/dbraw/zinc/08/27/09/584082709.db2.gz FVCCWBOVQHITCU-TXEJJXNPSA-N 1 1 247.338 2.633 20 10 BFCDMO CCOc1ccc(C[N@@H+]2CC=C(C)CC2)c(O)c1 ZINC000769447046 584965632 /nfs/dbraw/zinc/96/56/32/584965632.db2.gz SIQIMKVIODAZCO-UHFFFAOYSA-N 1 1 247.338 2.943 20 10 BFCDMO COC1C[NH+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000738233920 585042048 /nfs/dbraw/zinc/04/20/48/585042048.db2.gz MHKAMZKHKJIMSL-UHFFFAOYSA-N 1 1 249.354 2.655 20 10 BFCDMO CCN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886346495 585133733 /nfs/dbraw/zinc/13/37/33/585133733.db2.gz JSYNWXLQIGVUTJ-OKILXGFUSA-N 1 1 230.355 2.594 20 10 BFCDMO COC[C@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000751949982 585239633 /nfs/dbraw/zinc/23/96/33/585239633.db2.gz NMEXMXWIIREZEX-CQSZACIVSA-N 1 1 249.354 2.620 20 10 BFCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCCOC[C@H]2C)c1 ZINC000754740182 585290126 /nfs/dbraw/zinc/29/01/26/585290126.db2.gz KIIAQUXBEVLCBR-CYBMUJFWSA-N 1 1 249.354 2.620 20 10 BFCDMO CCC[N@@H+](Cc1cn[nH]c1)Cc1ccccc1O ZINC000769201488 585550841 /nfs/dbraw/zinc/55/08/41/585550841.db2.gz VEEVGILRCAXPLQ-UHFFFAOYSA-N 1 1 245.326 2.528 20 10 BFCDMO Cc1cccc(C[N@@H+](C)Cc2ccoc2)c1O ZINC000775664610 585682648 /nfs/dbraw/zinc/68/26/48/585682648.db2.gz ZRJSWYYCKDLYBB-UHFFFAOYSA-N 1 1 231.295 2.926 20 10 BFCDMO Cc1cccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)c1O ZINC000783737057 585841454 /nfs/dbraw/zinc/84/14/54/585841454.db2.gz JAUGBVAEWFRYOR-AVGNSLFASA-N 1 1 249.354 2.698 20 10 BFCDMO Cc1cccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)c1O ZINC000783737058 585841604 /nfs/dbraw/zinc/84/16/04/585841604.db2.gz JAUGBVAEWFRYOR-RWMBFGLXSA-N 1 1 249.354 2.698 20 10 BFCDMO CC[C@H]1CC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000793821738 586027523 /nfs/dbraw/zinc/02/75/23/586027523.db2.gz RURXWAXDSFFQMU-AWEZNQCLSA-N 1 1 231.339 2.865 20 10 BFCDMO Cc1cc(O)c(C[N@H+](C)[C@@H]2CCCOC2)cc1C ZINC000809693548 586513224 /nfs/dbraw/zinc/51/32/24/586513224.db2.gz XPEMBZBQUPXLPX-CQSZACIVSA-N 1 1 249.354 2.620 20 10 BFCDMO Cc1cc(C[N@@H+]2CC[C@H](C)C2)ccc1N(C)C ZINC000815033395 586664641 /nfs/dbraw/zinc/66/46/41/586664641.db2.gz ZMYJLMQKBNBTRQ-LBPRGKRZSA-N 1 1 232.371 2.903 20 10 BFCDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)[C@@H]1C ZINC000816647073 586748559 /nfs/dbraw/zinc/74/85/59/586748559.db2.gz NDMKCHJIBPVLNC-RKDXNWHRSA-N 1 1 225.719 2.886 20 10 BFCDMO Cc1ccc([C@H](C)[NH2+]CC2(N)CCC2)c(O)c1C ZINC000817965223 586853844 /nfs/dbraw/zinc/85/38/44/586853844.db2.gz RKQGEIMHDGSIIC-LBPRGKRZSA-N 1 1 248.370 2.541 20 10 BFCDMO Oc1ccccc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000824914356 587293762 /nfs/dbraw/zinc/29/37/62/587293762.db2.gz QMTVQDZEXMJYCQ-CYBMUJFWSA-N 1 1 249.379 2.720 20 10 BFCDMO COc1cccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1O ZINC000826538413 587354515 /nfs/dbraw/zinc/35/45/15/587354515.db2.gz DBLATRRRAXGURM-AAEUAGOBSA-N 1 1 247.338 2.775 20 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2.886 20 10 BFCDMO CC(C)[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862212066 589194498 /nfs/dbraw/zinc/19/44/98/589194498.db2.gz OZGQJFQCKCGPBT-UHFFFAOYSA-N 1 1 242.313 2.871 20 10 BFCDMO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1ccccc1O ZINC000863546055 589298176 /nfs/dbraw/zinc/29/81/76/589298176.db2.gz IYZMQZMYWPUXLG-BZPMIXESSA-N 1 1 248.370 2.573 20 10 BFCDMO Cc1cc(N[C@H](C)c2ccccc2O)nc(C)[nH+]1 ZINC000866236434 589482056 /nfs/dbraw/zinc/48/20/56/589482056.db2.gz BCZGYMDASQQDSZ-SNVBAGLBSA-N 1 1 243.310 2.972 20 10 BFCDMO CCC[N@@H+](CC)Cc1c(C)cccc1O ZINC000876512014 590206125 /nfs/dbraw/zinc/20/61/25/590206125.db2.gz YGTUEHQDGAAHQQ-UHFFFAOYSA-N 1 1 207.317 2.933 20 10 BFCDMO CCCC[N@@H+](C)Cc1ccc(C)cc1O ZINC000876525731 590208282 /nfs/dbraw/zinc/20/82/82/590208282.db2.gz JOPRELXAAFJZRO-UHFFFAOYSA-N 1 1 207.317 2.933 20 10 BFCDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C)cc1O ZINC000876535822 590211403 /nfs/dbraw/zinc/21/14/03/590211403.db2.gz QPRWKGNVHLDAHT-GXTWGEPZSA-N 1 1 249.354 2.700 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1ccoc1 ZINC000876633440 590224052 /nfs/dbraw/zinc/22/40/52/590224052.db2.gz UWCPEDOIZRTZEI-UHFFFAOYSA-N 1 1 231.295 2.926 20 10 BFCDMO Cc1cccc(O)c1C[N@H+](C)Cc1cscn1 ZINC000876641066 590224835 /nfs/dbraw/zinc/22/48/35/590224835.db2.gz DXDIEOLLDYCJRL-UHFFFAOYSA-N 1 1 248.351 2.789 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1cscn1 ZINC000876641066 590224836 /nfs/dbraw/zinc/22/48/36/590224836.db2.gz DXDIEOLLDYCJRL-UHFFFAOYSA-N 1 1 248.351 2.789 20 10 BFCDMO Cc1ccc(C[N@H+]2CCS[C@H](C)C2)c(O)c1 ZINC000876688698 590230802 /nfs/dbraw/zinc/23/08/02/590230802.db2.gz VRIRHOVKZYHVKX-LLVKDONJSA-N 1 1 237.368 2.638 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+](C)C[C@H]1CCCOC1 ZINC000876696834 590231830 /nfs/dbraw/zinc/23/18/30/590231830.db2.gz ZCUNPQNIPGIXPW-CYBMUJFWSA-N 1 1 249.354 2.559 20 10 BFCDMO Cc1ccc(C[N@@H+](C)CC2CCOCC2)c(O)c1 ZINC000876722100 590233428 /nfs/dbraw/zinc/23/34/28/590233428.db2.gz WPMSEVNEEZEMQO-UHFFFAOYSA-N 1 1 249.354 2.559 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000876799518 590242613 /nfs/dbraw/zinc/24/26/13/590242613.db2.gz GRNUFHNWISGXID-JQWIXIFHSA-N 1 1 219.328 2.931 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000876799517 590242752 /nfs/dbraw/zinc/24/27/52/590242752.db2.gz GRNUFHNWISGXID-CMPLNLGQSA-N 1 1 219.328 2.931 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000877165220 590294772 /nfs/dbraw/zinc/29/47/72/590294772.db2.gz KDDWRIMWEQZCAK-AAEUAGOBSA-N 1 1 237.318 2.881 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000877165223 590294774 /nfs/dbraw/zinc/29/47/74/590294774.db2.gz KDDWRIMWEQZCAK-YPMHNXCESA-N 1 1 237.318 2.881 20 10 BFCDMO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c(O)c1 ZINC000877462189 590332438 /nfs/dbraw/zinc/33/24/38/590332438.db2.gz LSXDDGWYKNXQPJ-XQQFMLRXSA-N 1 1 249.354 2.698 20 10 BFCDMO CSCCC[N@@H+](C)Cc1c(C)cccc1O ZINC000877501914 590341422 /nfs/dbraw/zinc/34/14/22/590341422.db2.gz VYHXGTPHSVSCFG-UHFFFAOYSA-N 1 1 239.384 2.886 20 10 BFCDMO CC[C@@H]1C[N@@H+](Cc2c(C)cccc2O)CCCO1 ZINC000877501865 590341569 /nfs/dbraw/zinc/34/15/69/590341569.db2.gz UMBMTLIPCOUROX-CYBMUJFWSA-N 1 1 249.354 2.702 20 10 BFCDMO Cc1ccc(C[N@H+](C(C)C)[C@H]2CCOC2)c(O)c1 ZINC000877542942 590351464 /nfs/dbraw/zinc/35/14/64/590351464.db2.gz ZLJPNRGVNJYKDG-AWEZNQCLSA-N 1 1 249.354 2.700 20 10 BFCDMO CC[C@@H]1CC[N@H+]1Cc1ccc(C)cc1O ZINC000877548248 590354475 /nfs/dbraw/zinc/35/44/75/590354475.db2.gz UCYCZDXXWLIGME-GFCCVEGCSA-N 1 1 205.301 2.685 20 10 BFCDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(C)cc1O ZINC000877575733 590363615 /nfs/dbraw/zinc/36/36/15/590363615.db2.gz CGLDMCFNWYWSIS-AWEZNQCLSA-N 1 1 249.354 2.702 20 10 BFCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000877636271 590381069 /nfs/dbraw/zinc/38/10/69/590381069.db2.gz RMDNNIXFLVNERY-RYUDHWBXSA-N 1 1 217.312 2.542 20 10 BFCDMO Oc1cccc2c1C[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000877703219 590395529 /nfs/dbraw/zinc/39/55/29/590395529.db2.gz WMOQZFMHWJBUJE-LMKPVCQUSA-N 1 1 229.323 2.754 20 10 BFCDMO CC[C@@H](C)C[N@H+]1Cc2cccc(O)c2C1 ZINC000877702573 590396583 /nfs/dbraw/zinc/39/65/83/590396583.db2.gz BWTSVIXSXAFQQP-SNVBAGLBSA-N 1 1 205.301 2.754 20 10 BFCDMO Cc1cnccc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703248 590396860 /nfs/dbraw/zinc/39/68/60/590396860.db2.gz YEHUBTALHDHSGF-UHFFFAOYSA-N 1 1 240.306 2.611 20 10 BFCDMO C=C/C=C\CC[N@H+](C)Cc1ccccc1O ZINC000878242454 590528715 /nfs/dbraw/zinc/52/87/15/590528715.db2.gz RPTRUOFIGICRGO-PLNGDYQASA-N 1 1 217.312 2.956 20 10 BFCDMO CC[C@@H](C)[N@@H+](C)Cc1cc(OC)ccc1O ZINC000132516255 591714279 /nfs/dbraw/zinc/71/42/79/591714279.db2.gz LULGDNPGNDTXAX-SNVBAGLBSA-N 1 1 223.316 2.631 20 10 BFCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](C(C)C)C2)c1 ZINC000135749709 592044490 /nfs/dbraw/zinc/04/44/90/592044490.db2.gz BIAKNUNLXJEFIF-GFCCVEGCSA-N 1 1 249.354 2.879 20 10 BFCDMO CSCC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886489900 592235491 /nfs/dbraw/zinc/23/54/91/592235491.db2.gz UOBWXPDWLWZSAW-MRVPVSSYSA-N 1 1 229.320 2.545 20 10 BFCDMO C[C@@H]([NH2+]CC1CC1)c1c(O)cccc1F ZINC000886500098 592237892 /nfs/dbraw/zinc/23/78/92/592237892.db2.gz FTKQGIUAONXZMX-MRVPVSSYSA-N 1 1 209.264 2.592 20 10 BFCDMO CO[C@@H](C)CC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886521168 592244009 /nfs/dbraw/zinc/24/40/09/592244009.db2.gz WDTCXVFWIFGHEA-UWVGGRQHSA-N 1 1 241.306 2.607 20 10 BFCDMO C[C@@H]([NH2+]CCC1CC1)c1c(O)cccc1F ZINC000886549930 592256882 /nfs/dbraw/zinc/25/68/82/592256882.db2.gz PPIKUIIEXBVJSP-SECBINFHSA-N 1 1 223.291 2.982 20 10 BFCDMO C[C@H]([NH2+]CCC1CC1)c1c(O)cccc1F ZINC000886549931 592257029 /nfs/dbraw/zinc/25/70/29/592257029.db2.gz PPIKUIIEXBVJSP-VIFPVBQESA-N 1 1 223.291 2.982 20 10 BFCDMO C[C@H]([NH2+]C1CCC1)c1c(O)cccc1F ZINC000886545985 592257042 /nfs/dbraw/zinc/25/70/42/592257042.db2.gz WHOSALVCVIILQV-QMMMGPOBSA-N 1 1 209.264 2.734 20 10 BFCDMO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886596927 592272056 /nfs/dbraw/zinc/27/20/56/592272056.db2.gz RTFGHYPNYJVYKC-IVZWLZJFSA-N 1 1 241.306 2.605 20 10 BFCDMO C[C@@H]([NH2+]CC[C@H](C)F)c1c(O)cccc1F ZINC000886616183 592275913 /nfs/dbraw/zinc/27/59/13/592275913.db2.gz WLJUWIXQNTUOFI-DTWKUNHWSA-N 1 1 229.270 2.930 20 10 BFCDMO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886612698 592276026 /nfs/dbraw/zinc/27/60/26/592276026.db2.gz RTFGHYPNYJVYKC-KXUCPTDWSA-N 1 1 241.306 2.605 20 10 BFCDMO CC[C@H](C[NH2+][C@@H](C)c1c(O)cccc1F)OC ZINC000886612126 592276051 /nfs/dbraw/zinc/27/60/51/592276051.db2.gz CKCNQAQEPDZNPA-VHSXEESVSA-N 1 1 241.306 2.607 20 10 BFCDMO C[C@@H]([NH2+][C@@H]1CC12CC2)c1c(O)cccc1F ZINC000886629935 592281600 /nfs/dbraw/zinc/28/16/00/592281600.db2.gz QSLAKNAXCPCESU-LDYMZIIASA-N 1 1 221.275 2.734 20 10 BFCDMO CCc1cnc(C[NH2+][C@@H](C)c2ccccc2O)o1 ZINC000223661517 592537400 /nfs/dbraw/zinc/53/74/00/592537400.db2.gz HNCUAJAWPQKIQY-JTQLQIEISA-N 1 1 246.310 2.793 20 10 BFCDMO C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1O ZINC000179558608 632743332 /nfs/dbraw/zinc/74/33/32/632743332.db2.gz SBXPFHNUEOZIOC-JTQLQIEISA-N 1 1 205.301 2.623 20 10 BFCDMO COCCC[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162817168 633039421 /nfs/dbraw/zinc/03/94/21/633039421.db2.gz FCBQZTGJMJXOTL-UHFFFAOYSA-N 1 1 243.734 2.514 20 10 BFCDMO COC(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000168823136 633150425 /nfs/dbraw/zinc/15/04/25/633150425.db2.gz MJCAYYFWGSQMGD-VIFPVBQESA-N 1 1 241.306 2.607 20 10 BFCDMO COc1cccc(C[N@H+]2C[C@H](C)C[C@H]2C)c1O ZINC000162912505 635186443 /nfs/dbraw/zinc/18/64/43/635186443.db2.gz HOHHVWACDAKIJU-GHMZBOCLSA-N 1 1 235.327 2.631 20 10 BFCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000164382833 640471368 /nfs/dbraw/zinc/47/13/68/640471368.db2.gz HBPVABCGKAJYGB-NEPJUHHUSA-N 1 1 249.354 2.879 20 10 BFCDMO Oc1c(F)cccc1C[NH+]1CCCCC1 ZINC000165410430 640570614 /nfs/dbraw/zinc/57/06/14/640570614.db2.gz ABBYANBOWGLQOG-UHFFFAOYSA-N 1 1 209.264 2.517 20 10 BFCDMO Cc1ccc(O)c(C[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000158095571 640806231 /nfs/dbraw/zinc/80/62/31/640806231.db2.gz QJQOTCKWOOFVND-NSHDSACASA-N 1 1 219.328 2.931 20 10 BFCDMO COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1O ZINC000156104998 641594851 /nfs/dbraw/zinc/59/48/51/641594851.db2.gz ITCNFTUUOKBNMJ-TXEJJXNPSA-N 1 1 247.338 2.633 20 10 BFCDMO CC[C@H](C)[N@@H+](C)Cc1cc(F)ccc1O ZINC000179933814 642754404 /nfs/dbraw/zinc/75/44/04/642754404.db2.gz XVFOTHIWNGFTIA-VIFPVBQESA-N 1 1 211.280 2.762 20 10 BFCDMO C[C@H]([NH2+]CCC1CC1)c1ccc(F)cc1O ZINC000083893844 643630719 /nfs/dbraw/zinc/63/07/19/643630719.db2.gz JQZAPXQGVWBDRW-VIFPVBQESA-N 1 1 223.291 2.982 20 10 BFCDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H]2C)c(O)cc1C ZINC000245542166 644530612 /nfs/dbraw/zinc/53/06/12/644530612.db2.gz PLVYXWFGIDYDME-CMPLNLGQSA-N 1 1 249.354 2.940 20 10 BFCDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H]2C)c(O)cc1C ZINC000245542168 644530996 /nfs/dbraw/zinc/53/09/96/644530996.db2.gz PLVYXWFGIDYDME-ZYHUDNBSSA-N 1 1 249.354 2.940 20 10 BFCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)C[C@H](C)O1 ZINC000092487501 644660755 /nfs/dbraw/zinc/66/07/55/644660755.db2.gz DLPMWKPUQPLWOE-GXTWGEPZSA-N 1 1 249.354 2.700 20 10 BFCDMO C[C@H](F)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708394042 712191931 /nfs/dbraw/zinc/19/19/31/712191931.db2.gz OEAZEBZBVMHYJW-ZETCQYMHSA-N 1 1 233.233 2.508 20 10 BFCDMO CCCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708394266 712192363 /nfs/dbraw/zinc/19/23/63/712192363.db2.gz UHPAGZNMASMILQ-UHFFFAOYSA-N 1 1 229.270 2.950 20 10 BFCDMO Cc1cccc(C[NH2+]C(C)(C)C(F)F)c1O ZINC000381423073 710635359 /nfs/dbraw/zinc/63/53/59/710635359.db2.gz XXRZNQTZVHVWDM-UHFFFAOYSA-N 1 1 229.270 2.834 20 10 BFCDMO Cc1cccc(C[NH2+][C@@H]2CCCC2(F)F)c1O ZINC000397988221 711399303 /nfs/dbraw/zinc/39/93/03/711399303.db2.gz HNWUJQLXLIGBJO-LLVKDONJSA-N 1 1 241.281 2.978 20 10 BFCDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1ccccc1O ZINC000399569600 711432300 /nfs/dbraw/zinc/43/23/00/711432300.db2.gz OGIAAHYUDFSEFB-GRYCIOLGSA-N 1 1 219.328 2.869 20 10 BFCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c1 ZINC000399546739 711432321 /nfs/dbraw/zinc/43/23/21/711432321.db2.gz BFQMTQVMSFSGRG-QJPTWQEYSA-N 1 1 249.354 2.877 20 10 BFCDMO CCC(F)(F)C[NH2+]Cc1cc(C)ccc1O ZINC000700166146 711987589 /nfs/dbraw/zinc/98/75/89/711987589.db2.gz MQWPMOZYSPJZGN-UHFFFAOYSA-N 1 1 229.270 2.836 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](OC(C)C)C2)c1 ZINC000701721672 712028420 /nfs/dbraw/zinc/02/84/20/712028420.db2.gz OBJCBFVBRHIALF-CQSZACIVSA-N 1 1 249.354 2.700 20 10 BFCDMO CCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708387993 712191878 /nfs/dbraw/zinc/19/18/78/712191878.db2.gz FHQNCZDGOFONAR-UHFFFAOYSA-N 1 1 215.243 2.560 20 10 BFCDMO C[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708415282 712194016 /nfs/dbraw/zinc/19/40/16/712194016.db2.gz WFXNPJXGSYYSRX-VIFPVBQESA-N 1 1 241.281 2.902 20 10 BFCDMO C[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708415282 712194019 /nfs/dbraw/zinc/19/40/19/712194019.db2.gz WFXNPJXGSYYSRX-VIFPVBQESA-N 1 1 241.281 2.902 20 10 BFCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](C(C)C)C2)c1 ZINC000709021715 712206237 /nfs/dbraw/zinc/20/62/37/712206237.db2.gz RYXLOULJYZMKKO-OAHLLOKOSA-N 1 1 249.354 2.557 20 10 BFCDMO 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ZINC000877702806 583343302 /nfs/dbraw/zinc/34/33/02/583343302.db2.gz IGYKDPBFMPAALC-ZDUSSCGKSA-N 1 1 249.354 2.769 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000894860088 583533746 /nfs/dbraw/zinc/53/37/46/583533746.db2.gz AMIPFWJMYIWZOI-GHMZBOCLSA-N 1 1 205.301 2.541 20 10 BFCDMO COc1cc(C)cc(C[N@H+]2C[C@@H](C)[C@H]2C)c1O ZINC000894862465 583537413 /nfs/dbraw/zinc/53/74/13/583537413.db2.gz YXYGPIVCGGEFCZ-GHMZBOCLSA-N 1 1 235.327 2.549 20 10 BFCDMO COc1cc(C)cc(C[N@@H+](C)C(C)(C)C)c1O ZINC000895082953 583583413 /nfs/dbraw/zinc/58/34/13/583583413.db2.gz BBUHPMFYTLCBMU-UHFFFAOYSA-N 1 1 237.343 2.940 20 10 BFCDMO CN(C)c1ccc(C[N@@H+](C)CCCF)cc1F ZINC000895898402 583740849 /nfs/dbraw/zinc/74/08/49/583740849.db2.gz QTSORCHKNDWKGA-UHFFFAOYSA-N 1 1 242.313 2.683 20 10 BFCDMO Oc1cccc(F)c1C[NH2+][C@@H]1CCC12CCC2 ZINC000896637223 583819138 /nfs/dbraw/zinc/81/91/38/583819138.db2.gz JAFQWTMKPPYHLF-CYBMUJFWSA-N 1 1 235.302 2.954 20 10 BFCDMO C[C@H]1CC[C@H]([NH2+]Cc2c(O)cccc2F)C1 ZINC000896637892 583819890 /nfs/dbraw/zinc/81/98/90/583819890.db2.gz QNUKMQMQNATJMX-UWVGGRQHSA-N 1 1 223.291 2.810 20 10 BFCDMO C[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2F)CS1 ZINC000896638985 583820033 /nfs/dbraw/zinc/82/00/33/583820033.db2.gz SIHGQNXJFKMIEZ-RKDXNWHRSA-N 1 1 241.331 2.515 20 10 BFCDMO Cc1cccc(O)c1C[N@H+]1CCn2cccc2C1 ZINC000896761926 583831066 /nfs/dbraw/zinc/83/10/66/583831066.db2.gz WGPCOMJSVFMTBZ-UHFFFAOYSA-N 1 1 242.322 2.518 20 10 BFCDMO C/C=C\C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000858291027 588942428 /nfs/dbraw/zinc/94/24/28/588942428.db2.gz MDAJFCKTDFEJJY-IHWYPQMZSA-N 1 1 229.682 2.850 20 10 BFCDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cc(C)cc(C)c1O ZINC000902636897 584648392 /nfs/dbraw/zinc/64/83/92/584648392.db2.gz HATXCJCZELOWJE-KGLIPLIRSA-N 1 1 249.354 2.618 20 10 BFCDMO CC[C@@H](COC)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886530759 585142087 /nfs/dbraw/zinc/14/20/87/585142087.db2.gz PVOTXKCWNBMZFV-ZJUUUORDSA-N 1 1 241.306 2.607 20 10 BFCDMO C[N@@H+](CC[C@H]1CCCCO1)Cc1ccccc1O ZINC000754063159 585277216 /nfs/dbraw/zinc/27/72/16/585277216.db2.gz BCOQJENNMLUEKH-CQSZACIVSA-N 1 1 249.354 2.783 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2CC(C)(C)OC[C@@H]2C)c1 ZINC000754155991 585279337 /nfs/dbraw/zinc/27/93/37/585279337.db2.gz OHRLTJKZDCHXBQ-LBPRGKRZSA-N 1 1 249.354 2.700 20 10 BFCDMO Cc1cccc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)c1O ZINC000754155495 585279412 /nfs/dbraw/zinc/27/94/12/585279412.db2.gz IBJCRWYFIAJDLO-LBPRGKRZSA-N 1 1 249.354 2.700 20 10 BFCDMO CCC[N@@H+](CC)Cc1cc(C)cc(OC)c1O ZINC000754729991 585290143 /nfs/dbraw/zinc/29/01/43/585290143.db2.gz JOHVJIGMUIBNER-UHFFFAOYSA-N 1 1 237.343 2.941 20 10 BFCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000754729932 585290317 /nfs/dbraw/zinc/29/03/17/585290317.db2.gz GONQENLOBRPCPE-SNVBAGLBSA-N 1 1 219.328 2.851 20 10 BFCDMO COc1cccc(C[N@@H+](C)Cc2ccoc2)c1O ZINC000769006449 585547598 /nfs/dbraw/zinc/54/75/98/585547598.db2.gz UIJFMOKVGYABIU-UHFFFAOYSA-N 1 1 247.294 2.626 20 10 BFCDMO CC[N@H+](Cc1c(O)cccc1OC)CC1CC1 ZINC000769405760 585555697 /nfs/dbraw/zinc/55/56/97/585555697.db2.gz XSHLXKYCNMLRSW-UHFFFAOYSA-N 1 1 235.327 2.633 20 10 BFCDMO CC[N@@H+](Cc1c(O)cccc1OC)C1CCC1 ZINC000769467305 585558022 /nfs/dbraw/zinc/55/80/22/585558022.db2.gz SQIHJUPOGXPMOL-UHFFFAOYSA-N 1 1 235.327 2.775 20 10 BFCDMO COc1cccc(O)c1C[N@H+]1CCCC2(CC2)C1 ZINC000770672984 585579247 /nfs/dbraw/zinc/57/92/47/585579247.db2.gz DKNWNRGPDWVFHI-UHFFFAOYSA-N 1 1 247.338 2.777 20 10 BFCDMO Cc1cnc([C@@H](C)[N@H+](C)Cc2ccccc2O)o1 ZINC000771449471 585594399 /nfs/dbraw/zinc/59/43/99/585594399.db2.gz XBRFQHVZULBMHY-LLVKDONJSA-N 1 1 246.310 2.882 20 10 BFCDMO Cc1cnc([C@@H](C)[N@@H+](C)Cc2ccccc2O)o1 ZINC000771449471 585594400 /nfs/dbraw/zinc/59/44/00/585594400.db2.gz XBRFQHVZULBMHY-LLVKDONJSA-N 1 1 246.310 2.882 20 10 BFCDMO Cc1cc(O)c(C[N@@H+]2CCCOC[C@H]2C)cc1C ZINC000772826371 585625006 /nfs/dbraw/zinc/62/50/06/585625006.db2.gz YHZKWRJLRGALJU-CYBMUJFWSA-N 1 1 249.354 2.620 20 10 BFCDMO Cc1cc(O)c(C[N@@H+]2CCCOC[C@@H]2C)cc1C ZINC000772826468 585625016 /nfs/dbraw/zinc/62/50/16/585625016.db2.gz YHZKWRJLRGALJU-ZDUSSCGKSA-N 1 1 249.354 2.620 20 10 BFCDMO COc1cccc(O)c1C[N@H+]1CC[C@H]1C(C)C ZINC000775765095 585684086 /nfs/dbraw/zinc/68/40/86/585684086.db2.gz NFMXYQWVGQWJFX-LBPRGKRZSA-N 1 1 235.327 2.631 20 10 BFCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H]2C(C)C)c1 ZINC000775764981 585684235 /nfs/dbraw/zinc/68/42/35/585684235.db2.gz MLZLEOIBLPUAQR-CYBMUJFWSA-N 1 1 235.327 2.631 20 10 BFCDMO COc1cccc(C[N@H+]2CC[C@H]2C(C)C)c1O ZINC000775762609 585684258 /nfs/dbraw/zinc/68/42/58/585684258.db2.gz BMLHKUCVGOXCPV-LBPRGKRZSA-N 1 1 235.327 2.631 20 10 BFCDMO CCOc1ccc(O)c(C[N@@H+]2CC=CCC2)c1 ZINC000779159186 585746410 /nfs/dbraw/zinc/74/64/10/585746410.db2.gz BFRXIZWHTDHGEO-UHFFFAOYSA-N 1 1 233.311 2.553 20 10 BFCDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(F)ccc1O ZINC000793220278 586014576 /nfs/dbraw/zinc/01/45/76/586014576.db2.gz MTGBVHGGGISOEA-DTORHVGOSA-N 1 1 209.264 2.514 20 10 BFCDMO COc1cccc(O)c1C[N@H+]1CCC=C(C)C1 ZINC000798090659 586136632 /nfs/dbraw/zinc/13/66/32/586136632.db2.gz WGPGKWKRKBOMFT-UHFFFAOYSA-N 1 1 233.311 2.553 20 10 BFCDMO CCOc1ccc(C[N@H+]2CCC=C(C)C2)c(O)c1 ZINC000798090711 586136669 /nfs/dbraw/zinc/13/66/69/586136669.db2.gz YOUVQHMAORIDSE-UHFFFAOYSA-N 1 1 247.338 2.943 20 10 BFCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](F)C2)c1 ZINC000840106276 586447631 /nfs/dbraw/zinc/44/76/31/586447631.db2.gz RHYPDJDWVPRFEG-LBPRGKRZSA-N 1 1 223.291 2.553 20 10 BFCDMO CC[N@@H+](Cc1cc(C)cc(C)c1O)[C@@H]1CCOC1 ZINC000812297727 586572644 /nfs/dbraw/zinc/57/26/44/586572644.db2.gz AVEOYTQKFOQRMM-CQSZACIVSA-N 1 1 249.354 2.620 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H]2C)c1 ZINC000816648399 586749995 /nfs/dbraw/zinc/74/99/95/586749995.db2.gz JYXMZYMWKMFFSD-GHMZBOCLSA-N 1 1 205.301 2.541 20 10 BFCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000816649055 586751457 /nfs/dbraw/zinc/75/14/57/586751457.db2.gz SOQLNWKCIMNWKX-MNOVXSKESA-N 1 1 236.334 2.732 20 10 BFCDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000816649057 586752125 /nfs/dbraw/zinc/75/21/25/586752125.db2.gz SOQLNWKCIMNWKX-WDEREUQCSA-N 1 1 236.334 2.732 20 10 BFCDMO CCN(C)c1ccc([C@H](C)N[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000817977317 586862215 /nfs/dbraw/zinc/86/22/15/586862215.db2.gz HPJITSQFHNJPBT-AVGNSLFASA-N 1 1 249.402 2.529 20 10 BFCDMO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)c(O)c1 ZINC000818614765 586906885 /nfs/dbraw/zinc/90/68/85/586906885.db2.gz GBZBHDMQCVKITG-MRVWCRGKSA-N 1 1 248.370 2.621 20 10 BFCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H]2C2CC2)cc1F ZINC000824649756 587280628 /nfs/dbraw/zinc/28/06/28/587280628.db2.gz FLZOVPVCSFHZKH-CQSZACIVSA-N 1 1 248.345 2.876 20 10 BFCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]2C2CC2)cc1 ZINC000824651002 587280904 /nfs/dbraw/zinc/28/09/04/587280904.db2.gz RWOXFUGQCBVGEN-HNNXBMFYSA-N 1 1 230.355 2.737 20 10 BFCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](F)C2)cc1Cl ZINC000826036768 587348974 /nfs/dbraw/zinc/34/89/74/587348974.db2.gz OMDWPFPHVKBLFZ-JTQLQIEISA-N 1 1 243.709 2.898 20 10 BFCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](F)C2)cc1Cl ZINC000826036768 587348975 /nfs/dbraw/zinc/34/89/75/587348975.db2.gz OMDWPFPHVKBLFZ-JTQLQIEISA-N 1 1 243.709 2.898 20 10 BFCDMO Oc1ccc(F)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826539279 587354393 /nfs/dbraw/zinc/35/43/93/587354393.db2.gz QMUSCSOCUKXBDA-GWCFXTLKSA-N 1 1 235.302 2.906 20 10 BFCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506031 587384093 /nfs/dbraw/zinc/38/40/93/587384093.db2.gz BNPFGVRTKZKZPQ-NXEZZACHSA-N 1 1 237.730 2.887 20 10 BFCDMO COc1cccc([C@@H](C)[NH2+]CC(C)(F)F)c1O ZINC000846171105 588259189 /nfs/dbraw/zinc/25/91/89/588259189.db2.gz RLYJICXXJCXDQA-MRVPVSSYSA-N 1 1 245.269 2.707 20 10 BFCDMO CCc1cccc(C[N@@H+](C)CC2CC2)c1O ZINC000848881897 588415935 /nfs/dbraw/zinc/41/59/35/588415935.db2.gz JVSBPOAMOANPLP-UHFFFAOYSA-N 1 1 219.328 2.796 20 10 BFCDMO C[N@H+]1CC[C@H](CSc2ncc(Cl)s2)C1 ZINC000850000263 588513507 /nfs/dbraw/zinc/51/35/07/588513507.db2.gz ODPHSGYQKQINGJ-ZETCQYMHSA-N 1 1 248.804 2.840 20 10 BFCDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3C[C@@H]3C2)c(Cl)c1 ZINC000862442629 589213301 /nfs/dbraw/zinc/21/33/01/589213301.db2.gz DUVXTSNONXHDHN-AOOOYVTPSA-N 1 1 237.730 2.806 20 10 BFCDMO CN(C)c1ccc(Cn2cc[nH+]c2C2CC2)cc1 ZINC000863384953 589285852 /nfs/dbraw/zinc/28/58/52/589285852.db2.gz GEFFSSRKOQUABE-UHFFFAOYSA-N 1 1 241.338 2.875 20 10 BFCDMO CC[C@H]([NH2+][C@H]1CC[C@H](C)NC1)c1ccccc1O ZINC000863546057 589297661 /nfs/dbraw/zinc/29/76/61/589297661.db2.gz IYZMQZMYWPUXLG-OBJOEFQTSA-N 1 1 248.370 2.573 20 10 BFCDMO C[N@H+](CCCc1ccncc1)c1ccc(N)cc1 ZINC000863558560 589299212 /nfs/dbraw/zinc/29/92/12/589299212.db2.gz NFWRWAINLVLXKV-UHFFFAOYSA-N 1 1 241.338 2.733 20 10 BFCDMO C[N@@H+](CCCc1ccncc1)c1ccc(N)cc1 ZINC000863558560 589299213 /nfs/dbraw/zinc/29/92/13/589299213.db2.gz NFWRWAINLVLXKV-UHFFFAOYSA-N 1 1 241.338 2.733 20 10 BFCDMO CCO[C@@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000124496586 590033384 /nfs/dbraw/zinc/03/33/84/590033384.db2.gz GNYDKHDZTLVVKI-CQSZACIVSA-N 1 1 249.354 2.702 20 10 BFCDMO Cc1cc(C[N@@H+](C)Cc2ccc(C)cc2O)no1 ZINC000876596153 590220044 /nfs/dbraw/zinc/22/00/44/590220044.db2.gz FJEPCJSBMXIBIV-UHFFFAOYSA-N 1 1 246.310 2.629 20 10 BFCDMO Cc1cc(C[N@H+](C)Cc2ccc(C)cc2O)no1 ZINC000876596153 590220045 /nfs/dbraw/zinc/22/00/45/590220045.db2.gz FJEPCJSBMXIBIV-UHFFFAOYSA-N 1 1 246.310 2.629 20 10 BFCDMO CO[C@](C)(C[N@@H+](C)Cc1ccccc1O)C1CC1 ZINC000876616040 590222653 /nfs/dbraw/zinc/22/26/53/590222653.db2.gz PPCOKGWUAFZXKI-OAHLLOKOSA-N 1 1 249.354 2.639 20 10 BFCDMO CC[C@H]1C[N@@H+](Cc2ccc(C)cc2O)C[C@H](C)O1 ZINC000876638634 590224994 /nfs/dbraw/zinc/22/49/94/590224994.db2.gz DHJPULZRIBUQIT-JSGCOSHPSA-N 1 1 249.354 2.700 20 10 BFCDMO Cc1ccc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)c(O)c1 ZINC000876637652 590225293 /nfs/dbraw/zinc/22/52/93/590225293.db2.gz YCNAKYQXSZCLMR-LBPRGKRZSA-N 1 1 249.354 2.700 20 10 BFCDMO Cc1ccc(C[N@@H+]2CCC[C@H]2C)c(O)c1 ZINC000876722783 590233554 /nfs/dbraw/zinc/23/35/54/590233554.db2.gz FFEBZPQXHXUACU-LLVKDONJSA-N 1 1 205.301 2.685 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+]1CC=C(C)CC1 ZINC000876749902 590236818 /nfs/dbraw/zinc/23/68/18/590236818.db2.gz NJHHUCKQRQMFHV-UHFFFAOYSA-N 1 1 217.312 2.853 20 10 BFCDMO Cc1ccc(C[N@H+](C)Cc2cccn2C)c(O)c1 ZINC000876758059 590238794 /nfs/dbraw/zinc/23/87/94/590238794.db2.gz FDAUGEMDDMCCIP-UHFFFAOYSA-N 1 1 244.338 2.671 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000876769349 590239881 /nfs/dbraw/zinc/23/98/81/590239881.db2.gz SGTOFEVJRMSTTP-BETUJISGSA-N 1 1 231.339 2.788 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000876799520 590242454 /nfs/dbraw/zinc/24/24/54/590242454.db2.gz GRNUFHNWISGXID-ZYHUDNBSSA-N 1 1 219.328 2.931 20 10 BFCDMO CO[C@H]1CCC[N@@H+](Cc2ccc(C)cc2O)CC1 ZINC000877197961 590300021 /nfs/dbraw/zinc/30/00/21/590300021.db2.gz ZPDGQBXMYPSEHW-AWEZNQCLSA-N 1 1 249.354 2.702 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1ccncc1 ZINC000877317987 590313046 /nfs/dbraw/zinc/31/30/46/590313046.db2.gz ILAUSNWVUZOBMD-UHFFFAOYSA-N 1 1 242.322 2.728 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000877486372 590339199 /nfs/dbraw/zinc/33/91/99/590339199.db2.gz INCWXXIDERRQDB-PHIMTYICSA-N 1 1 205.301 2.683 20 10 BFCDMO CO[C@H]1CC[N@@H+](Cc2ccc(C)cc2O)[C@H](C)C1 ZINC000877498351 590341807 /nfs/dbraw/zinc/34/18/07/590341807.db2.gz BVNKNQNRSBPPQL-OCCSQVGLSA-N 1 1 249.354 2.700 20 10 BFCDMO Cc1ccc(C[N@H+](C(C)C)[C@@H]2CCOC2)c(O)c1 ZINC000877542943 590351751 /nfs/dbraw/zinc/35/17/51/590351751.db2.gz ZLJPNRGVNJYKDG-CQSZACIVSA-N 1 1 249.354 2.700 20 10 BFCDMO CC[C@H]1CC[N@H+]1Cc1ccc(C)cc1O ZINC000877548249 590354099 /nfs/dbraw/zinc/35/40/99/590354099.db2.gz UCYCZDXXWLIGME-LBPRGKRZSA-N 1 1 205.301 2.685 20 10 BFCDMO CC[N@@H+](Cc1ccc(C)cc1O)[C@H]1CCCOC1 ZINC000877612138 590373053 /nfs/dbraw/zinc/37/30/53/590373053.db2.gz DERQSKSQBBUMJF-AWEZNQCLSA-N 1 1 249.354 2.702 20 10 BFCDMO CO[C@@](C)(C[N@H+]1Cc2cccc(O)c2C1)C1CC1 ZINC000877703274 590395491 /nfs/dbraw/zinc/39/54/91/590395491.db2.gz ZJAOIGFSEULVPU-HNNXBMFYSA-N 1 1 247.338 2.523 20 10 BFCDMO CC1(C[N@H+]2Cc3cccc(O)c3C2)CC1 ZINC000877703155 590395779 /nfs/dbraw/zinc/39/57/79/590395779.db2.gz TYTPBLUDHOOJHV-UHFFFAOYSA-N 1 1 203.285 2.508 20 10 BFCDMO Cc1nc(C)c(C[N@@H+]2Cc3cccc(O)c3C2)o1 ZINC000877702563 590396192 /nfs/dbraw/zinc/39/61/92/590396192.db2.gz BRDCCXOVSUUFFP-UHFFFAOYSA-N 1 1 244.294 2.513 20 10 BFCDMO Cc1nc(C)c(C[N@H+]2Cc3cccc(O)c3C2)o1 ZINC000877702563 590396194 /nfs/dbraw/zinc/39/61/94/590396194.db2.gz BRDCCXOVSUUFFP-UHFFFAOYSA-N 1 1 244.294 2.513 20 10 BFCDMO Cc1ccc(C[NH+]2CC(OC(C)(C)C)C2)c(O)c1 ZINC000877769429 590421530 /nfs/dbraw/zinc/42/15/30/590421530.db2.gz BTXDUPBQGIHRHM-UHFFFAOYSA-N 1 1 249.354 2.700 20 10 BFCDMO CC(C)[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000132480791 591712397 /nfs/dbraw/zinc/71/23/97/591712397.db2.gz IKTBAHZGKRRRER-UHFFFAOYSA-N 1 1 213.708 2.886 20 10 BFCDMO CC[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1O ZINC000132518943 591714330 /nfs/dbraw/zinc/71/43/30/591714330.db2.gz KNKIAOPUGSUHNS-SNVBAGLBSA-N 1 1 223.316 2.631 20 10 BFCDMO COc1cccc(C[N@H+]2CC[C@H](C(C)C)C2)c1O ZINC000135649171 592030791 /nfs/dbraw/zinc/03/07/91/592030791.db2.gz YLRCKQYFDMOZPK-LBPRGKRZSA-N 1 1 249.354 2.879 20 10 BFCDMO CC(C)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886487698 592235047 /nfs/dbraw/zinc/23/50/47/592235047.db2.gz PMFGPOYOHCVCAQ-VIFPVBQESA-N 1 1 211.280 2.838 20 10 BFCDMO C[C@H]([NH2+]Cc1ccn(C)c1)c1c(O)cccc1F ZINC000886537397 592251038 /nfs/dbraw/zinc/25/10/38/592251038.db2.gz ZQJBMNQHDQSPSH-JTQLQIEISA-N 1 1 248.301 2.721 20 10 BFCDMO C[C@@H]([NH2+]CC1(C)CC1)c1c(O)cccc1F ZINC000886550264 592257159 /nfs/dbraw/zinc/25/71/59/592257159.db2.gz WJHPOZHYJWUNFH-SECBINFHSA-N 1 1 223.291 2.982 20 10 BFCDMO C[C@H]([NH2+][C@H]1CCSC1)c1c(O)cccc1F ZINC000886549796 592257431 /nfs/dbraw/zinc/25/74/31/592257431.db2.gz NNLOPFUNVKQFPR-IUCAKERBSA-N 1 1 241.331 2.687 20 10 BFCDMO C[C@@H]([NH2+]C1CC(C)C1)c1c(O)cccc1F ZINC000886549613 592257528 /nfs/dbraw/zinc/25/75/28/592257528.db2.gz KWVXRBZLVIYVFV-HWOCKDDLSA-N 1 1 223.291 2.980 20 10 BFCDMO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1c(O)cccc1F ZINC000886556573 592260311 /nfs/dbraw/zinc/26/03/11/592260311.db2.gz FUFHBMFNFJOJHU-DTWKUNHWSA-N 1 1 249.289 2.666 20 10 BFCDMO CCOC[C@H](C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886593853 592271114 /nfs/dbraw/zinc/27/11/14/592271114.db2.gz ATYAVULECYIALU-UWVGGRQHSA-N 1 1 241.306 2.607 20 10 BFCDMO C[C@H]([NH2+]C1CC(F)(F)C1)c1c(O)cccc1F ZINC000886601039 592272434 /nfs/dbraw/zinc/27/24/34/592272434.db2.gz ICSGUKUQOMGXCQ-ZETCQYMHSA-N 1 1 245.244 2.980 20 10 BFCDMO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1c(O)cccc1F ZINC000886630111 592282112 /nfs/dbraw/zinc/28/21/12/592282112.db2.gz VCFVNHRSQZMMJP-MMWGEVLESA-N 1 1 235.302 2.980 20 10 BFCDMO COCC1(C[N@@H+](C)Cc2ccccc2O)CCC1 ZINC000291243910 631657184 /nfs/dbraw/zinc/65/71/84/631657184.db2.gz VGZHYPDAVYNVFX-UHFFFAOYSA-N 1 1 249.354 2.641 20 10 BFCDMO CC[N@@H+](Cc1cc2c(cc1O)CCC2)C1CC1 ZINC000121884658 631987242 /nfs/dbraw/zinc/98/72/42/631987242.db2.gz MEQICYRYCZFFLO-UHFFFAOYSA-N 1 1 231.339 2.865 20 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Cc1cc(C)c(O)c(C[N@@H+](C)C[C@H]2CCCO2)c1 ZINC000164355109 640471198 /nfs/dbraw/zinc/47/11/98/640471198.db2.gz RCYWFJWOZJKVNQ-CQSZACIVSA-N 1 1 249.354 2.620 20 10 BFCDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000226565685 640775495 /nfs/dbraw/zinc/77/54/95/640775495.db2.gz IVZMTYOUYJYNAJ-UWVGGRQHSA-N 1 1 223.291 2.762 20 10 BFCDMO C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000173526151 641183473 /nfs/dbraw/zinc/18/34/73/641183473.db2.gz OUARZCKXVLNSTQ-LLVKDONJSA-N 1 1 231.339 2.865 20 10 BFCDMO CCC[N@@H+](CCF)Cc1ccccc1O ZINC000759336805 641420160 /nfs/dbraw/zinc/42/01/60/641420160.db2.gz DKOPDEJKWDIGQP-UHFFFAOYSA-N 1 1 211.280 2.574 20 10 BFCDMO CC[N@@H+](Cc1cc(OC)c(C)cc1O)C1CC1 ZINC000159718697 641696081 /nfs/dbraw/zinc/69/60/81/641696081.db2.gz PCOXVVHMYVUPHM-UHFFFAOYSA-N 1 1 235.327 2.694 20 10 BFCDMO CCC[N@@H+](C)Cc1cc(OC)c(C)cc1O ZINC000160029297 641710938 /nfs/dbraw/zinc/71/09/38/641710938.db2.gz ONRZXLMKYVONCT-UHFFFAOYSA-N 1 1 223.316 2.551 20 10 BFCDMO C[N@@H+](Cc1ccccc1O)CC1(O)CCCCC1 ZINC000305249580 642650457 /nfs/dbraw/zinc/65/04/57/642650457.db2.gz UQYRLKBUZLCRLB-UHFFFAOYSA-N 1 1 249.354 2.519 20 10 BFCDMO C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000179873192 642750372 /nfs/dbraw/zinc/75/03/72/642750372.db2.gz IJEMGKIPMDIQCF-JTQLQIEISA-N 1 1 223.291 2.906 20 10 BFCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)[C@H]1C ZINC000816647905 643554714 /nfs/dbraw/zinc/55/47/14/643554714.db2.gz AAYWSEGFEVRDQQ-IUCAKERBSA-N 1 1 225.719 2.886 20 10 BFCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000769327583 644682104 /nfs/dbraw/zinc/68/21/04/644682104.db2.gz CQACHYXCXCJLJY-CYBMUJFWSA-N 1 1 247.338 2.775 20 10 BFCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)C2(CCC2)CO1 ZINC000846067016 645398081 /nfs/dbraw/zinc/39/80/81/645398081.db2.gz LMIMPUWWNDATGV-LBPRGKRZSA-N 1 1 247.338 2.536 20 10 BFCDMO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(F)F ZINC000389930893 711098646 /nfs/dbraw/zinc/09/86/46/711098646.db2.gz DMONVQXJLSZTMA-VXNVDRBHSA-N 1 1 227.254 2.623 20 10 BFCDMO C[C@H](N[C@@H](C)C(F)F)c1ccc(F)cc1[O-] ZINC000389967365 711100881 /nfs/dbraw/zinc/10/08/81/711100881.db2.gz OKQHSHVDPZIHKM-BQBZGAKWSA-N 1 1 233.233 2.836 20 10 BFCDMO COCCCC[N@@H+](C)Cc1cc(C)ccc1O ZINC000397086522 711377127 /nfs/dbraw/zinc/37/71/27/711377127.db2.gz FFZPJRUMHOLZHD-UHFFFAOYSA-N 1 1 237.343 2.559 20 10 BFCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc[nH]2)cc1 ZINC000180173474 711887303 /nfs/dbraw/zinc/88/73/03/711887303.db2.gz WBSGSPUFWGMJQN-UHFFFAOYSA-N 1 1 243.354 2.713 20 10 BFCDMO C[C@@H](F)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708394040 712191685 /nfs/dbraw/zinc/19/16/85/712191685.db2.gz OEAZEBZBVMHYJW-SSDOTTSWSA-N 1 1 233.233 2.508 20 10 BFCDMO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000708403182 712192806 /nfs/dbraw/zinc/19/28/06/712192806.db2.gz ZIEOEXVYMHKICB-DTWKUNHWSA-N 1 1 241.281 2.901 20 10 BFCDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000708403182 712192807 /nfs/dbraw/zinc/19/28/07/712192807.db2.gz ZIEOEXVYMHKICB-DTWKUNHWSA-N 1 1 241.281 2.901 20 10 BFCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C1CCC1 ZINC000708440982 712195232 /nfs/dbraw/zinc/19/52/32/712195232.db2.gz GNAMAYGHNCCGDU-QMMMGPOBSA-N 1 1 241.281 2.949 20 10 BFCDMO CC1(CC[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000708515261 712211872 /nfs/dbraw/zinc/21/18/72/712211872.db2.gz PASQDGLJYPSYEY-UHFFFAOYSA-N 1 1 241.281 2.950 20 10 BFCDMO C[N@H+](CC[C@@H]1CCCCO1)c1ccc(N)cc1 ZINC000711081582 712279150 /nfs/dbraw/zinc/27/91/50/712279150.db2.gz RXNCWDNPLHIYSO-AWEZNQCLSA-N 1 1 234.343 2.664 20 10 BFCDMO C[N@@H+](CC[C@@H]1CCCCO1)c1ccc(N)cc1 ZINC000711081582 712279151 /nfs/dbraw/zinc/27/91/51/712279151.db2.gz RXNCWDNPLHIYSO-AWEZNQCLSA-N 1 1 234.343 2.664 20 10 BFCDMO C[N@H+](CCCOC(F)(F)F)c1ccc(N)cc1 ZINC000713429286 712459849 /nfs/dbraw/zinc/45/98/49/712459849.db2.gz YFAILFHNKNJFDM-UHFFFAOYSA-N 1 1 248.248 2.632 20 10 BFCDMO C[N@@H+](CCCOC(F)(F)F)c1ccc(N)cc1 ZINC000713429286 712459851 /nfs/dbraw/zinc/45/98/51/712459851.db2.gz YFAILFHNKNJFDM-UHFFFAOYSA-N 1 1 248.248 2.632 20 10 BFCDMO C/C=C/C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000384906441 712704504 /nfs/dbraw/zinc/70/45/04/712704504.db2.gz PBLRPOPICRXGQS-NWALNABHSA-N 1 1 209.264 2.758 20 10 BFCDMO CCc1cccc(C[N@H+]2CCO[C@H](C)CC2)c1O ZINC000720495109 712847286 /nfs/dbraw/zinc/84/72/86/712847286.db2.gz CAIAGQKVGLPLFD-GFCCVEGCSA-N 1 1 249.354 2.565 20 10 BFCDMO Cc1ccc(C[N@H+]2CCC3(CC3)C2)c(O)c1 ZINC001140948008 960747570 /nfs/dbraw/zinc/74/75/70/960747570.db2.gz PCKZBEONJPGBFZ-UHFFFAOYSA-N 1 1 217.312 2.687 20 10 BFCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)C2(CC2)C1 ZINC001203558439 967007070 /nfs/dbraw/zinc/00/70/70/967007070.db2.gz HRLFOZRADSIFBV-LLVKDONJSA-N 1 1 217.312 2.767 20 10 BFCDMO CCSC[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC001173311030 975219709 /nfs/dbraw/zinc/21/97/09/975219709.db2.gz JJLVHOFPDNZICD-NSHDSACASA-N 1 1 239.384 2.966 20 10 BFCDMO CCC[N@@H+](CC)Cc1cc(Cl)c(O)cc1O ZINC001232258610 977968594 /nfs/dbraw/zinc/96/85/94/977968594.db2.gz LXEZLQFWHZSXPJ-UHFFFAOYSA-N 1 1 243.734 2.983 20 10 BFCDMO COc1cc(O)c(C[N@@H+](C)C2CC2)cc1Cl ZINC001232266915 977986099 /nfs/dbraw/zinc/98/60/99/977986099.db2.gz SQYKOTNDLGYGHM-UHFFFAOYSA-N 1 1 241.718 2.648 20 10 BFCDMO CCC[C@@H](C)[N@H+]1CCc2cccc(O)c2C1 ZINC001257323534 971223957 /nfs/dbraw/zinc/22/39/57/971223957.db2.gz CTAODJSQWSUEKR-LLVKDONJSA-N 1 1 219.328 2.939 20 10 BFCDMO COC[C@H]1CCCC[N@H+]1Cc1cc(C)ccc1O ZINC000307774628 958202049 /nfs/dbraw/zinc/20/20/49/958202049.db2.gz MDIPLCNEGGQBMP-CQSZACIVSA-N 1 1 249.354 2.702 20 10 BFCDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000404728106 959328936 /nfs/dbraw/zinc/32/89/36/959328936.db2.gz YGJOAUPXSXUJFX-CQSZACIVSA-N 1 1 249.354 2.782 20 10 BFCDMO Nc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000310538234 960185092 /nfs/dbraw/zinc/18/50/92/960185092.db2.gz BJJZEAXWUFUXCH-OKILXGFUSA-N 1 1 230.355 2.891 20 10 BFCDMO C[N@@H+](Cc1ccsc1)Cc1cc(O)ccc1O ZINC001141160406 960415307 /nfs/dbraw/zinc/41/53/07/960415307.db2.gz XMWPELONOPSFLS-UHFFFAOYSA-N 1 1 249.335 2.791 20 10 BFCDMO 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Oc1c(F)cccc1C[NH2+][C@H]1CCC[C@H](F)C1 ZINC001560902467 991644954 /nfs/dbraw/zinc/64/49/54/991644954.db2.gz FHAOEGSWWZFDLN-QWRGUYRKSA-N 1 1 241.281 2.902 20 10 BFCDMO CC(C)SCC[N@H+]1Cc2cccc(O)c2C1 ZINC001560977876 991677586 /nfs/dbraw/zinc/67/75/86/991677586.db2.gz IMQYDVAWRDWUJS-UHFFFAOYSA-N 1 1 237.368 2.849 20 10 BFCDMO CC[N@@H+](Cc1cc(C)ccc1O)C1CC1 ZINC000180102754 347014088 /nfs/dbraw/zinc/01/40/88/347014088.db2.gz KOQKZHZZTRRSTJ-UHFFFAOYSA-N 1 1 205.301 2.685 20 10 BFCDMO CC[N@@H+](Cc1cc(C)c(C)cc1O)C1CC1 ZINC000121880923 344941290 /nfs/dbraw/zinc/94/12/90/344941290.db2.gz PXVPPWUWBQEAND-UHFFFAOYSA-N 1 1 219.328 2.993 20 10 BFCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092471154 345622769 /nfs/dbraw/zinc/62/27/69/345622769.db2.gz YBYWWEWHQLHVPA-GFCCVEGCSA-N 1 1 218.344 2.594 20 10 BFCDMO Cc1cccc(C[N@H+]2CCCSCC2)c1O ZINC000272725632 179073604 /nfs/dbraw/zinc/07/36/04/179073604.db2.gz GAZRYROFGSUSSY-UHFFFAOYSA-N 1 1 237.368 2.640 20 10 BFCDMO Cc1cccc(C[N@H+]2CC[C@@H](C3CC3)C2)c1O ZINC000376830568 179080294 /nfs/dbraw/zinc/08/02/94/179080294.db2.gz DSCVMYZXHKNMRX-CYBMUJFWSA-N 1 1 231.339 2.933 20 10 BFCDMO Cc1cccc(C[N@H+]2CCC[C@@H]2CF)c1O ZINC000293933846 179075902 /nfs/dbraw/zinc/07/59/02/179075902.db2.gz HPKCLJMRGATRSU-GFCCVEGCSA-N 1 1 223.291 2.635 20 10 BFCDMO Cc1cccc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c1O ZINC000124571245 179082445 /nfs/dbraw/zinc/08/24/45/179082445.db2.gz OVMBQOGDYNSHDA-GFCCVEGCSA-N 1 1 249.354 2.700 20 10 BFCDMO Oc1c(F)cccc1C[NH2+]CC1CC(F)(F)C1 ZINC000292805541 183255277 /nfs/dbraw/zinc/25/52/77/183255277.db2.gz OBFRMRMQSIJMAG-UHFFFAOYSA-N 1 1 245.244 2.666 20 10 BFCDMO CCC[N@@H+](CCOCC)Cc1ccccc1O ZINC000152226158 169168801 /nfs/dbraw/zinc/16/88/01/169168801.db2.gz KUPVJTBDDLLWGT-UHFFFAOYSA-N 1 1 237.343 2.641 20 10 BFCDMO CCC[N@@H+](Cc1ccno1)Cc1ccccc1O ZINC000264635360 169179845 /nfs/dbraw/zinc/17/98/45/169179845.db2.gz SOOMRPWWEHABAJ-UHFFFAOYSA-N 1 1 246.310 2.792 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000132644411 384198235 /nfs/dbraw/zinc/19/82/35/384198235.db2.gz UQHDSRULNPAZMW-NSHDSACASA-N 1 1 205.301 2.685 20 10 BFCDMO CC[C@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000159248263 384315143 /nfs/dbraw/zinc/31/51/43/384315143.db2.gz HUDQGSQBSLCOLP-LBPRGKRZSA-N 1 1 219.328 2.933 20 10 BFCDMO Oc1c(F)cccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000160253776 384673674 /nfs/dbraw/zinc/67/36/74/384673674.db2.gz MFOOAWKRVHPFQB-QWRGUYRKSA-N 1 1 235.302 2.763 20 10 BFCDMO CC(F)(F)CC[NH2+]Cc1cccc(F)c1O ZINC000294354225 384777118 /nfs/dbraw/zinc/77/71/18/384777118.db2.gz ZLXVEBVDIKBZHM-UHFFFAOYSA-N 1 1 233.233 2.666 20 10 BFCDMO CO[C@@H]1C[N@@H+](Cc2cccc(C)c2O)CC[C@@H]1C ZINC000188315970 385038588 /nfs/dbraw/zinc/03/85/88/385038588.db2.gz GJUDCAQDUBMJCF-SMDDNHRTSA-N 1 1 249.354 2.557 20 10 BFCDMO C[C@H]([NH2+]CC1CCC1)c1ccc(F)cc1O ZINC000062745730 385186529 /nfs/dbraw/zinc/18/65/29/385186529.db2.gz SFDZPXCDBYRDSD-VIFPVBQESA-N 1 1 223.291 2.982 20 10 BFCDMO C[C@@H]([NH2+]CC1CCC1)c1ccc(F)cc1O ZINC000062745731 385187028 /nfs/dbraw/zinc/18/70/28/385187028.db2.gz SFDZPXCDBYRDSD-SECBINFHSA-N 1 1 223.291 2.982 20 10 BFCDMO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000191655763 385313450 /nfs/dbraw/zinc/31/34/50/385313450.db2.gz HKSKMFPCBDZPLZ-GUBZILKMSA-N 1 1 241.306 2.605 20 10 BFCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000156102415 385436799 /nfs/dbraw/zinc/43/67/99/385436799.db2.gz IPOGSBGGQQEDFZ-BETUJISGSA-N 1 1 231.339 2.933 20 10 BFCDMO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccccc1O ZINC000179574000 385473354 /nfs/dbraw/zinc/47/33/54/385473354.db2.gz OWQHRSVFJALNMI-CQSZACIVSA-N 1 1 249.354 2.639 20 10 BFCDMO CCCC[N@@H+](CCOC)Cc1ccccc1O ZINC000179573529 385473889 /nfs/dbraw/zinc/47/38/89/385473889.db2.gz JQJDSIWGQQZCHP-UHFFFAOYSA-N 1 1 237.343 2.641 20 10 BFCDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccccc1O ZINC000179577070 385476484 /nfs/dbraw/zinc/47/64/84/385476484.db2.gz GLFGQHMLNMKVDH-MNOVXSKESA-N 1 1 237.368 2.718 20 10 BFCDMO C[N@@H+](Cc1cc(F)ccc1O)C1CCC1 ZINC000180167576 385509063 /nfs/dbraw/zinc/50/90/63/385509063.db2.gz ATFKXKBAXPTRNX-UHFFFAOYSA-N 1 1 209.264 2.516 20 10 BFCDMO Cc1cc[nH+]c(N(C)Cc2ccccc2O)c1 ZINC000302600533 386928020 /nfs/dbraw/zinc/92/80/20/386928020.db2.gz CADSVHOUBFFGPJ-UHFFFAOYSA-N 1 1 228.295 2.732 20 10 BFCDMO CO[C@H]1CCC[N@@H+](Cc2cccc(C)c2O)CC1 ZINC000371684389 387239276 /nfs/dbraw/zinc/23/92/76/387239276.db2.gz DJGCSANRRQZUNH-AWEZNQCLSA-N 1 1 249.354 2.702 20 10 BFCDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccccc1O ZINC000278580100 398039021 /nfs/dbraw/zinc/03/90/21/398039021.db2.gz DCKGZOZTJYYYJG-HNNXBMFYSA-N 1 1 249.354 2.519 20 10 BFCDMO C[C@H](C1CC1)[N@@H+](C)Cc1cc(F)ccc1O ZINC000179936044 410912004 /nfs/dbraw/zinc/91/20/04/410912004.db2.gz XNYVELGPDFULHZ-SECBINFHSA-N 1 1 223.291 2.762 20 10 BFCDMO CCOC1CC(C[N@@H+](C)Cc2ccccc2O)C1 ZINC000285777512 170323288 /nfs/dbraw/zinc/32/32/88/170323288.db2.gz XBZGEPLJVDHRQI-UHFFFAOYSA-N 1 1 249.354 2.639 20 10 BFCDMO CC[C@@H]1CC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000292115937 171023756 /nfs/dbraw/zinc/02/37/56/171023756.db2.gz QWKZMVILKUGIKX-CYBMUJFWSA-N 1 1 219.328 2.993 20 10 BFCDMO COCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000081706130 174384944 /nfs/dbraw/zinc/38/49/44/174384944.db2.gz HDXPSLIPRGELAV-NXEZZACHSA-N 1 1 241.306 2.607 20 10 BFCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000376831511 175157092 /nfs/dbraw/zinc/15/70/92/175157092.db2.gz JOMVFMSQXQRQIG-LBPRGKRZSA-N 1 1 247.338 2.633 20 10 BFCDMO COc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000156103923 175157995 /nfs/dbraw/zinc/15/79/95/175157995.db2.gz CVKFEHLNUXBQCU-TXEJJXNPSA-N 1 1 247.338 2.633 20 10 BFCDMO COc1cccc(C[N@@H+](C)Cc2ccco2)c1O ZINC000162167738 175256100 /nfs/dbraw/zinc/25/61/00/175256100.db2.gz BXGVWHQPALANDC-UHFFFAOYSA-N 1 1 247.294 2.626 20 10 BFCDMO COc1cccc(C[N@H+]2CCC(C)=C(C)C2)c1O ZINC000280842283 175257806 /nfs/dbraw/zinc/25/78/06/175257806.db2.gz MBAANXKBUWXILO-UHFFFAOYSA-N 1 1 247.338 2.943 20 10 BFCDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000179866582 176099832 /nfs/dbraw/zinc/09/98/32/176099832.db2.gz RVDKFHICJROUJG-SNVBAGLBSA-N 1 1 223.291 2.763 20 10 BFCDMO C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000180137447 176108077 /nfs/dbraw/zinc/10/80/77/176108077.db2.gz PHEOOYRSOSHZEQ-SECBINFHSA-N 1 1 209.264 2.516 20 10 BFCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000293183012 176304994 /nfs/dbraw/zinc/30/49/94/176304994.db2.gz WUDQPOIASPNRTH-VXGBXAGGSA-N 1 1 218.344 2.593 20 10 BFCDMO C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000180137465 177110374 /nfs/dbraw/zinc/11/03/74/177110374.db2.gz PHEOOYRSOSHZEQ-VIFPVBQESA-N 1 1 209.264 2.516 20 10 BFCDMO COc1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(O)cc1C ZINC000853575154 588749301 /nfs/dbraw/zinc/74/93/01/588749301.db2.gz AZSMTZMHNFUICQ-VXGBXAGGSA-N 1 1 247.338 2.551 20 10 BFCDMO C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000725777895 582848698 /nfs/dbraw/zinc/84/86/98/582848698.db2.gz ITVCIGKDSNKMHI-NSHDSACASA-N 1 1 242.322 2.782 20 10 BFCDMO CC(C)[C@H]1CC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894136676 583314445 /nfs/dbraw/zinc/31/44/45/583314445.db2.gz AQDJBHGHOMJMCC-GFCCVEGCSA-N 1 1 241.281 2.901 20 10 BFCDMO CC(C)[C@H]1CC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894136676 583314447 /nfs/dbraw/zinc/31/44/47/583314447.db2.gz AQDJBHGHOMJMCC-GFCCVEGCSA-N 1 1 241.281 2.901 20 10 BFCDMO CCOc1ccc(C[N@@H+]2[C@H](C)C[C@@H]2C)c(O)c1 ZINC000793219569 583577324 /nfs/dbraw/zinc/57/73/24/583577324.db2.gz ABPBGNBDZXHSBI-PHIMTYICSA-N 1 1 235.327 2.774 20 10 BFCDMO Cc1ccc(C[N@@H+](C)Cc2ccns2)c(O)c1 ZINC000895451963 583676568 /nfs/dbraw/zinc/67/65/68/583676568.db2.gz HKTYUMUZOVAQGZ-UHFFFAOYSA-N 1 1 248.351 2.789 20 10 BFCDMO C[C@@H]([NH2+]Cc1c(O)cccc1F)[C@@H]1CC1(F)F ZINC000896638935 583819845 /nfs/dbraw/zinc/81/98/45/583819845.db2.gz RZLWMXVTNMEXSK-APPZFPTMSA-N 1 1 245.244 2.665 20 10 BFCDMO Oc1cccc(F)c1C[NH2+][C@@H]1CCCC12CC2 ZINC000896638020 583819882 /nfs/dbraw/zinc/81/98/82/583819882.db2.gz NKVNHOKOPBCESO-CYBMUJFWSA-N 1 1 235.302 2.954 20 10 BFCDMO C[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2F)CS1 ZINC000896638980 583819920 /nfs/dbraw/zinc/81/99/20/583819920.db2.gz SIHGQNXJFKMIEZ-BDAKNGLRSA-N 1 1 241.331 2.515 20 10 BFCDMO CC(C)OC1CC([N@@H+](C)Cc2ccccc2O)C1 ZINC000838893793 585078860 /nfs/dbraw/zinc/07/88/60/585078860.db2.gz GCFASIKJMUHRQK-UHFFFAOYSA-N 1 1 249.354 2.780 20 10 BFCDMO Oc1ccc(Cl)cc1C[NH+]1CC(C(F)F)C1 ZINC000839140611 585094436 /nfs/dbraw/zinc/09/44/36/585094436.db2.gz HUJFQJCEKFGAET-UHFFFAOYSA-N 1 1 247.672 2.743 20 10 BFCDMO CC(C)C[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000744151948 585144596 /nfs/dbraw/zinc/14/45/96/585144596.db2.gz NGQUDDGTPRSBDV-UHFFFAOYSA-N 1 1 233.355 2.969 20 10 BFCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@H]1C ZINC000751929851 585239627 /nfs/dbraw/zinc/23/96/27/585239627.db2.gz SCEVFHHEVMZIAV-TXEJJXNPSA-N 1 1 245.366 2.969 20 10 BFCDMO COC[C@@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000751949981 585239957 /nfs/dbraw/zinc/23/99/57/585239957.db2.gz NMEXMXWIIREZEX-AWEZNQCLSA-N 1 1 249.354 2.620 20 10 BFCDMO CN(C)c1ccc(C[N@@H+](C)CCCF)cc1 ZINC000766004478 585495934 /nfs/dbraw/zinc/49/59/34/585495934.db2.gz DAZOPVOKWXOMOW-UHFFFAOYSA-N 1 1 224.323 2.544 20 10 BFCDMO CCC[N@@H+](C)Cc1ccc(OCC)cc1O ZINC000768242817 585534644 /nfs/dbraw/zinc/53/46/44/585534644.db2.gz CKFSCMNHLZNEEG-UHFFFAOYSA-N 1 1 223.316 2.633 20 10 BFCDMO COc1cc(C[N@H+]2CC[C@@H](C)C2)c(O)cc1C ZINC000768443300 585538468 /nfs/dbraw/zinc/53/84/68/585538468.db2.gz DVAVSHLWCNZMJN-SNVBAGLBSA-N 1 1 235.327 2.551 20 10 BFCDMO COc1cc(C[N@@H+]2CC=C(C)CC2)c(O)cc1C ZINC000768464923 585539147 /nfs/dbraw/zinc/53/91/47/585539147.db2.gz GMUCRKSRJVHDQI-UHFFFAOYSA-N 1 1 247.338 2.861 20 10 BFCDMO CCOc1ccc(C[N@@H+](C)C2CCC2)c(O)c1 ZINC000769443404 585556630 /nfs/dbraw/zinc/55/66/30/585556630.db2.gz ZAKCASMIVTWMQB-UHFFFAOYSA-N 1 1 235.327 2.775 20 10 BFCDMO CC1=CC[N@@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC000769447632 585556867 /nfs/dbraw/zinc/55/68/67/585556867.db2.gz UFPQVZYQDVULSQ-UHFFFAOYSA-N 1 1 230.355 2.905 20 10 BFCDMO CCC[N@@H+](CC)Cc1c(O)cccc1OC ZINC000771935820 585605005 /nfs/dbraw/zinc/60/50/05/585605005.db2.gz YZPBQSDQGLNEOI-UHFFFAOYSA-N 1 1 223.316 2.633 20 10 BFCDMO CC[N@H+](Cc1cccc(C)c1O)C[C@@H]1CCOC1 ZINC000775654177 585682288 /nfs/dbraw/zinc/68/22/88/585682288.db2.gz UBEMGTLRLRGLSI-ZDUSSCGKSA-N 1 1 249.354 2.559 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]2C(C)C)c1 ZINC000775765365 585684198 /nfs/dbraw/zinc/68/41/98/585684198.db2.gz NFULEQOISDTNKG-CYBMUJFWSA-N 1 1 219.328 2.931 20 10 BFCDMO CC(C)[C@H]1CC[N@H+]1Cc1ccccc1O ZINC000779046296 585744793 /nfs/dbraw/zinc/74/47/93/585744793.db2.gz RZYKELKFLZUHJN-GFCCVEGCSA-N 1 1 205.301 2.623 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)c1 ZINC000779148105 585745581 /nfs/dbraw/zinc/74/55/81/585745581.db2.gz GHAJSDFXIGVVSA-YPMHNXCESA-N 1 1 237.318 2.881 20 10 BFCDMO CC[C@H]1CC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000793819561 586026708 /nfs/dbraw/zinc/02/67/08/586026708.db2.gz IKVHFRHCWJLYEQ-LBPRGKRZSA-N 1 1 235.327 2.694 20 10 BFCDMO CC[C@@H]([NH2+][C@@H](C)COC)c1ccc(F)cc1O ZINC000796662637 586109665 /nfs/dbraw/zinc/10/96/65/586109665.db2.gz GBMMJIFNGHLONE-JOYOIKCWSA-N 1 1 241.306 2.607 20 10 BFCDMO CC[C@H]1CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000814178931 586616173 /nfs/dbraw/zinc/61/61/73/586616173.db2.gz JIDOPIMODZRKRC-LBPRGKRZSA-N 1 1 236.334 2.876 20 10 BFCDMO CSCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816529260 586739267 /nfs/dbraw/zinc/73/92/67/586739267.db2.gz LYPBNLWUKOUIKN-UHFFFAOYSA-N 1 1 249.738 2.637 20 10 BFCDMO CCOc1ccc(C[N@H+]2C[C@H](C)[C@H]2C)c(O)c1 ZINC000816647434 586748718 /nfs/dbraw/zinc/74/87/18/586748718.db2.gz SBKUFLKQAFWGQH-WDEREUQCSA-N 1 1 235.327 2.631 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@H]2C)c1 ZINC000816648400 586750683 /nfs/dbraw/zinc/75/06/83/586750683.db2.gz JYXMZYMWKMFFSD-MNOVXSKESA-N 1 1 205.301 2.541 20 10 BFCDMO CC[C@@H]([NH2+]Cc1ccccc1O)C(F)F ZINC000824509727 587272141 /nfs/dbraw/zinc/27/21/41/587272141.db2.gz NIBPRQPPXXSCTD-SECBINFHSA-N 1 1 215.243 2.526 20 10 BFCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]2C2CC2)cc1C 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20 10 BFCDMO Oc1cccc(F)c1C[N@@H+]1CCCC[C@H](F)C1 ZINC001137831945 967825447 /nfs/dbraw/zinc/82/54/47/967825447.db2.gz UDXTWISPUVJZNC-JTQLQIEISA-N 1 1 241.281 2.855 20 10 BFCDMO Oc1cccc(F)c1C[N@H+]1CCCC[C@H](F)C1 ZINC001137831945 967825450 /nfs/dbraw/zinc/82/54/50/967825450.db2.gz UDXTWISPUVJZNC-JTQLQIEISA-N 1 1 241.281 2.855 20 10 BFCDMO CC[N@H+](Cc1ccccc1O)C[C@H]1C[C@H]1C ZINC001209430009 969497231 /nfs/dbraw/zinc/49/72/31/969497231.db2.gz IUCRTDOZBVFWFQ-DGCLKSJQSA-N 1 1 219.328 2.870 20 10 BFCDMO C[C@@H]1CC[C@H]([N@H+]2CCc3cccc(O)c3C2)C1 ZINC001170150939 970453067 /nfs/dbraw/zinc/45/30/67/970453067.db2.gz PXDYXPPAPAXMON-YPMHNXCESA-N 1 1 231.339 2.939 20 10 BFCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc[nH]c2)cc1 ZINC000178864562 970480072 /nfs/dbraw/zinc/48/00/72/970480072.db2.gz QQVDYPXTFVPJKR-UHFFFAOYSA-N 1 1 243.354 2.713 20 10 BFCDMO CC[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2O)CCO1 ZINC001170235448 970608678 /nfs/dbraw/zinc/60/86/78/970608678.db2.gz MIENZFXUFYRZBM-ZIAGYGMSSA-N 1 1 249.354 2.782 20 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BFCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001237484613 979912168 /nfs/dbraw/zinc/91/21/68/979912168.db2.gz GENKUTROWNJZAZ-QWRGUYRKSA-N 1 1 241.281 2.583 20 10 BFCDMO CC[N@@H+](Cc1c(C)cccc1O)C1CCOCC1 ZINC001237489859 979914725 /nfs/dbraw/zinc/91/47/25/979914725.db2.gz LROUXTDSNXCUPA-UHFFFAOYSA-N 1 1 249.354 2.702 20 10 BFCDMO Cc1cc(F)cc(C[N@@H+](C)CC2CC2)c1O ZINC001238059018 980133733 /nfs/dbraw/zinc/13/37/33/980133733.db2.gz XVPGUYNEQVZTHQ-UHFFFAOYSA-N 1 1 223.291 2.682 20 10 BFCDMO Cc1cc(F)cc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c1O ZINC001238058927 980134634 /nfs/dbraw/zinc/13/46/34/980134634.db2.gz WREHHPFGBSMIEU-SKDRFNHKSA-N 1 1 241.281 2.630 20 10 BFCDMO Cc1cncc(-c2[nH+]ccc3c2ccn3C)c1 ZINC001240800627 981848778 /nfs/dbraw/zinc/84/87/78/981848778.db2.gz SHUAYZVOYIMKEI-UHFFFAOYSA-N 1 1 223.279 2.944 20 10 BFCDMO C[C@@H]1CCCCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203879696 982572878 /nfs/dbraw/zinc/57/28/78/982572878.db2.gz YIHQOVQKJJMMOE-LLVKDONJSA-N 1 1 235.327 2.862 20 10 BFCDMO 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ZINC000793820118 586027071 /nfs/dbraw/zinc/02/70/71/586027071.db2.gz KCFZKXSTKNZQOH-GFCCVEGCSA-N 1 1 242.322 2.925 20 10 BFCDMO CC1=C[C@@H](C)C[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000797604513 586129427 /nfs/dbraw/zinc/12/94/27/586129427.db2.gz HBBFMOUTDSXSAS-SNVBAGLBSA-N 1 1 235.302 2.929 20 10 BFCDMO Cc1cc(C[N@@H+]2CC=CCC2)ccc1N(C)C ZINC000815085594 586665977 /nfs/dbraw/zinc/66/59/77/586665977.db2.gz AYQIWAKWWFLWOL-UHFFFAOYSA-N 1 1 230.355 2.823 20 10 BFCDMO COCC[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816484082 586736322 /nfs/dbraw/zinc/73/63/22/586736322.db2.gz PCXDZKWHNLEINF-UHFFFAOYSA-N 1 1 245.322 2.624 20 10 BFCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@@H]2C)cc1C ZINC000816647583 586750822 /nfs/dbraw/zinc/75/08/22/586750822.db2.gz VGXBTDRJADXIDR-NEPJUHHUSA-N 1 1 219.328 2.849 20 10 BFCDMO Cc1cccc(C[N@@H+]2C[C@H](C)[C@H]2C)c1O ZINC000816649628 586752364 /nfs/dbraw/zinc/75/23/64/586752364.db2.gz FMVLIPWAODQNNQ-WDEREUQCSA-N 1 1 205.301 2.541 20 10 BFCDMO CC[C@@H]([NH2+]C[C@H]1CCCCN1)c1ccccc1O ZINC000817948534 586846942 /nfs/dbraw/zinc/84/69/42/586846942.db2.gz BDNHWZZJFOYCFI-TZMCWYRMSA-N 1 1 248.370 2.575 20 10 BFCDMO CC[C@H]([NH2+]C[C@H]1CCCCN1)c1ccccc1O ZINC000817948533 586847417 /nfs/dbraw/zinc/84/74/17/586847417.db2.gz BDNHWZZJFOYCFI-OCCSQVGLSA-N 1 1 248.370 2.575 20 10 BFCDMO CC[C@H]([NH2+]Cc1cccc(OC)c1O)C(F)F ZINC000824508179 587272346 /nfs/dbraw/zinc/27/23/46/587272346.db2.gz BIQCSHFUCKWRDQ-VIFPVBQESA-N 1 1 245.269 2.534 20 10 BFCDMO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)C(F)F ZINC000824510755 587272803 /nfs/dbraw/zinc/27/28/03/587272803.db2.gz ZPRPTWRBBCDNEY-SNVBAGLBSA-N 1 1 229.270 2.834 20 10 BFCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000824650119 587280892 /nfs/dbraw/zinc/28/08/92/587280892.db2.gz JBJCEMNPLXKISA-GFCCVEGCSA-N 1 1 221.275 2.516 20 10 BFCDMO Oc1c(F)cccc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000824650119 587280893 /nfs/dbraw/zinc/28/08/93/587280893.db2.gz JBJCEMNPLXKISA-GFCCVEGCSA-N 1 1 221.275 2.516 20 10 BFCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C)C1 ZINC000840911674 587929636 /nfs/dbraw/zinc/92/96/36/587929636.db2.gz MHUCBYAIZRLSNA-LBPRGKRZSA-N 1 1 232.371 2.903 20 10 BFCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)CC2(CCC2)O1 ZINC000843435833 588109567 /nfs/dbraw/zinc/10/95/67/588109567.db2.gz UKOWULQAAOYWLO-LBPRGKRZSA-N 1 1 247.338 2.536 20 10 BFCDMO COc1cccc(O)c1C[N@H+]1CCC12CCCC2 ZINC000846000501 588253159 /nfs/dbraw/zinc/25/31/59/588253159.db2.gz SDFCBNIJBRHABO-UHFFFAOYSA-N 1 1 247.338 2.919 20 10 BFCDMO COc1cccc([C@H](C)[NH2+]CC(C)(F)F)c1O ZINC000846171107 588259187 /nfs/dbraw/zinc/25/91/87/588259187.db2.gz RLYJICXXJCXDQA-QMMMGPOBSA-N 1 1 245.269 2.707 20 10 BFCDMO CCc1cccc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)c1O ZINC000848911619 588419212 /nfs/dbraw/zinc/41/92/12/588419212.db2.gz WKRCULFUCJEDOU-OKILXGFUSA-N 1 1 249.354 2.564 20 10 BFCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000851840524 588634418 /nfs/dbraw/zinc/63/44/18/588634418.db2.gz GWICUOGGRHWLJY-UBSAEIQESA-N 1 1 231.339 2.870 20 10 BFCDMO Cc1cc(N[C@@H](C)c2ccccc2O)nc(C)[nH+]1 ZINC000866236433 589482152 /nfs/dbraw/zinc/48/21/52/589482152.db2.gz BCZGYMDASQQDSZ-JTQLQIEISA-N 1 1 243.310 2.972 20 10 BFCDMO C[C@H]([NH2+]CC(C)(C)F)c1ccc(F)cc1O ZINC000866409061 589491440 /nfs/dbraw/zinc/49/14/40/589491440.db2.gz UAWWMYDDIVBADE-QMMMGPOBSA-N 1 1 229.270 2.930 20 10 BFCDMO Cc1ccc(C[N@H+](C)Cc2ccccc2O)nc1 ZINC000121142435 589504065 /nfs/dbraw/zinc/50/40/65/589504065.db2.gz HVVUDKBTHIGEII-UHFFFAOYSA-N 1 1 242.322 2.728 20 10 BFCDMO Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)c(O)c1 ZINC000876525824 590208274 /nfs/dbraw/zinc/20/82/74/590208274.db2.gz OKKBYQBHTLCBTF-GFCCVEGCSA-N 1 1 219.328 2.933 20 10 BFCDMO Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)c(O)c1 ZINC000876525825 590208553 /nfs/dbraw/zinc/20/85/53/590208553.db2.gz OKKBYQBHTLCBTF-LBPRGKRZSA-N 1 1 219.328 2.933 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](C)C1 ZINC000876525018 590208628 /nfs/dbraw/zinc/20/86/28/590208628.db2.gz AOUXREXSWYJTRS-LLVKDONJSA-N 1 1 219.328 2.933 20 10 BFCDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C)cc1O ZINC000876535825 590211249 /nfs/dbraw/zinc/21/12/49/590211249.db2.gz QPRWKGNVHLDAHT-TZMCWYRMSA-N 1 1 249.354 2.700 20 10 BFCDMO CC[N@@H+](Cc1ccc(C)cc1O)C(C)C ZINC000876561723 590215036 /nfs/dbraw/zinc/21/50/36/590215036.db2.gz RKMQHKKCVYDJHQ-UHFFFAOYSA-N 1 1 207.317 2.931 20 10 BFCDMO CO[C@@](C)(C[N@@H+](C)Cc1ccccc1O)C1CC1 ZINC000876616039 590222165 /nfs/dbraw/zinc/22/21/65/590222165.db2.gz PPCOKGWUAFZXKI-HNNXBMFYSA-N 1 1 249.354 2.639 20 10 BFCDMO CC[N@H+](Cc1c(C)cccc1O)CC1CC1 ZINC000876732463 590234248 /nfs/dbraw/zinc/23/42/48/590234248.db2.gz WXEFHLUWBXTHQF-UHFFFAOYSA-N 1 1 219.328 2.933 20 10 BFCDMO Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H]2C)c(O)c1 ZINC000876799183 590242899 /nfs/dbraw/zinc/24/28/99/590242899.db2.gz AOSHBVUUBWXDFZ-RYUDHWBXSA-N 1 1 219.328 2.931 20 10 BFCDMO Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)c(O)c1 ZINC000877164659 590295108 /nfs/dbraw/zinc/29/51/08/590295108.db2.gz BZRHPDGVEDHARR-WCQYABFASA-N 1 1 237.318 2.881 20 10 BFCDMO Cc1ccc(C[NH2+]C(C)(C)C(F)F)c(O)c1 ZINC000877487711 590339296 /nfs/dbraw/zinc/33/92/96/590339296.db2.gz AEROVCBXEWDHOQ-UHFFFAOYSA-N 1 1 229.270 2.834 20 10 BFCDMO CO[C@H]1CC[N@@H+](Cc2ccc(C)cc2O)[C@@H](C)C1 ZINC000877498350 590341518 /nfs/dbraw/zinc/34/15/18/590341518.db2.gz BVNKNQNRSBPPQL-JSGCOSHPSA-N 1 1 249.354 2.700 20 10 BFCDMO CCOC1CC([N@@H+](C)Cc2c(C)cccc2O)C1 ZINC000877530276 590349365 /nfs/dbraw/zinc/34/93/65/590349365.db2.gz RRVJYFBPDBYTMM-UHFFFAOYSA-N 1 1 249.354 2.700 20 10 BFCDMO CC[C@@H]1CC[N@H+]1Cc1c(C)cccc1O ZINC000877547623 590354745 /nfs/dbraw/zinc/35/47/45/590354745.db2.gz DASKEWPHJDTBIM-LLVKDONJSA-N 1 1 205.301 2.685 20 10 BFCDMO CS[C@H]1CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877564047 590360651 /nfs/dbraw/zinc/36/06/51/590360651.db2.gz WQZUNWVTCXVXEW-LBPRGKRZSA-N 1 1 237.368 2.638 20 10 BFCDMO Cc1ncsc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703057 590395365 /nfs/dbraw/zinc/39/53/65/590395365.db2.gz PMMVLORWFHFAEU-UHFFFAOYSA-N 1 1 246.335 2.673 20 10 BFCDMO Cc1ncsc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703057 590395368 /nfs/dbraw/zinc/39/53/68/590395368.db2.gz PMMVLORWFHFAEU-UHFFFAOYSA-N 1 1 246.335 2.673 20 10 BFCDMO Cc1noc(C)c1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703480 590397606 /nfs/dbraw/zinc/39/76/06/590397606.db2.gz LJAHTZBWQWLCTA-UHFFFAOYSA-N 1 1 244.294 2.513 20 10 BFCDMO Cc1noc(C)c1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703480 590397610 /nfs/dbraw/zinc/39/76/10/590397610.db2.gz LJAHTZBWQWLCTA-UHFFFAOYSA-N 1 1 244.294 2.513 20 10 BFCDMO CCCC[N@@H+](CC(C)=O)Cc1ccccc1O ZINC000878564810 590592931 /nfs/dbraw/zinc/59/29/31/590592931.db2.gz BZSASZDNHAQWPF-UHFFFAOYSA-N 1 1 235.327 2.583 20 10 BFCDMO CCOCC[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000132761695 591736600 /nfs/dbraw/zinc/73/66/00/591736600.db2.gz HUHGNLROWKSYKV-UHFFFAOYSA-N 1 1 243.734 2.514 20 10 BFCDMO C[C@@H]([NH2+][C@H](C)C1CC1)c1c(O)cccc1F ZINC000886492002 592237068 /nfs/dbraw/zinc/23/70/68/592237068.db2.gz ZOOOEARYUZHQCG-RKDXNWHRSA-N 1 1 223.291 2.980 20 10 BFCDMO CSC[C@H](C)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886530784 592246910 /nfs/dbraw/zinc/24/69/10/592246910.db2.gz QEUGJCFTHHJTOH-DTWKUNHWSA-N 1 1 243.347 2.933 20 10 BFCDMO CSC[C@H](C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886530785 592247559 /nfs/dbraw/zinc/24/75/59/592247559.db2.gz QEUGJCFTHHJTOH-IUCAKERBSA-N 1 1 243.347 2.933 20 10 BFCDMO CC[C@@H](COC)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886530757 592247588 /nfs/dbraw/zinc/24/75/88/592247588.db2.gz PVOTXKCWNBMZFV-UWVGGRQHSA-N 1 1 241.306 2.607 20 10 BFCDMO C[C@H]([NH2+][C@@H]1CCSC1)c1c(O)cccc1F ZINC000886549795 592257307 /nfs/dbraw/zinc/25/73/07/592257307.db2.gz NNLOPFUNVKQFPR-DTWKUNHWSA-N 1 1 241.331 2.687 20 10 BFCDMO C[C@@H]([NH2+][C@H]1CCSC1)c1c(O)cccc1F ZINC000886549794 592257455 /nfs/dbraw/zinc/25/74/55/592257455.db2.gz NNLOPFUNVKQFPR-BDAKNGLRSA-N 1 1 241.331 2.687 20 10 BFCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1cn[nH]c1 ZINC000886556572 592260373 /nfs/dbraw/zinc/26/03/73/592260373.db2.gz FUFHBMFNFJOJHU-BDAKNGLRSA-N 1 1 249.289 2.666 20 10 BFCDMO CC[C@@H](C[NH2+][C@H](C)c1c(O)cccc1F)OC ZINC000886612127 592276368 /nfs/dbraw/zinc/27/63/68/592276368.db2.gz CKCNQAQEPDZNPA-ZJUUUORDSA-N 1 1 241.306 2.607 20 10 BFCDMO C[C@@H]([NH2+][C@H]1CC1(C)C)c1c(O)cccc1F ZINC000886625064 592279082 /nfs/dbraw/zinc/27/90/82/592279082.db2.gz HQELDVWXRCLGDA-KCJUWKMLSA-N 1 1 223.291 2.980 20 10 BFCDMO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(F)cc1O ZINC000309288908 631993372 /nfs/dbraw/zinc/99/33/72/631993372.db2.gz JFIOFBIJZYAQTM-AUTRQRHGSA-N 1 1 223.291 2.980 20 10 BFCDMO C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(F)c2O)C1 ZINC000163164975 636079787 /nfs/dbraw/zinc/07/97/87/636079787.db2.gz OIZYMBBMDCWDNS-NXEZZACHSA-N 1 1 223.291 2.762 20 10 BFCDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(F)c2O)C1 ZINC000163164975 636079789 /nfs/dbraw/zinc/07/97/89/636079789.db2.gz OIZYMBBMDCWDNS-NXEZZACHSA-N 1 1 223.291 2.762 20 10 BFCDMO C[C@@H]1C[C@@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000309777566 633732697 /nfs/dbraw/zinc/73/26/97/633732697.db2.gz MABACQNVGJNQPV-HTQZYQBOSA-N 1 1 243.709 2.930 20 10 BFCDMO C[N@@H+](Cc1ccc(F)nc1)Cc1ccccc1O ZINC000189303071 634178205 /nfs/dbraw/zinc/17/82/05/634178205.db2.gz ATAAXBOKEPVJLO-UHFFFAOYSA-N 1 1 246.285 2.558 20 10 BFCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)C[C@H]2C)c1 ZINC000164383612 640473147 /nfs/dbraw/zinc/47/31/47/640473147.db2.gz DVWJUQFAMUZYLU-GHMZBOCLSA-N 1 1 235.327 2.631 20 10 BFCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)c1 ZINC000164514049 640489258 /nfs/dbraw/zinc/48/92/58/640489258.db2.gz AUSHWDOJRVJUBK-STQMWFEESA-N 1 1 249.354 2.618 20 10 BFCDMO C[N@@H+](Cc1ccccc1O)[C@@H]1C=CCCC1 ZINC000171926532 641022465 /nfs/dbraw/zinc/02/24/65/641022465.db2.gz PGYNBLUJGCILSS-CYBMUJFWSA-N 1 1 217.312 2.933 20 10 BFCDMO Cc1cncc(C[N@H+](C)Cc2ccccc2O)c1 ZINC000189952075 641828194 /nfs/dbraw/zinc/82/81/94/641828194.db2.gz XZYZXLBQZIFHAL-UHFFFAOYSA-N 1 1 242.322 2.728 20 10 BFCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000246714629 644602652 /nfs/dbraw/zinc/60/26/52/644602652.db2.gz NMBDLMBAEFYBME-CHWSQXEVSA-N 1 1 249.354 2.618 20 10 BFCDMO Cc1ccc(O)c(C[N@H+](C)Cc2cccn2C)c1 ZINC000093584776 644696174 /nfs/dbraw/zinc/69/61/74/644696174.db2.gz UMPBYSDQCNNMQX-UHFFFAOYSA-N 1 1 244.338 2.671 20 10 BFCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](F)C1)CCCC2 ZINC000840104961 644866077 /nfs/dbraw/zinc/86/60/77/644866077.db2.gz WGNYQCAHZIRSFC-AWEZNQCLSA-N 1 1 249.329 2.815 20 10 BFCDMO C[N@@H+](CCc1ccns1)Cc1ccccc1O ZINC000929977540 646381182 /nfs/dbraw/zinc/38/11/82/646381182.db2.gz WAAVOSAUHZSYAF-UHFFFAOYSA-N 1 1 248.351 2.523 20 10 BFCDMO C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])C(F)F ZINC000389967368 711101081 /nfs/dbraw/zinc/10/10/81/711101081.db2.gz OKQHSHVDPZIHKM-NKWVEPMBSA-N 1 1 233.233 2.836 20 10 BFCDMO Cc1ccc([C@@H](C)[NH2+]Cc2cocn2)c(O)c1 ZINC000397981479 711397417 /nfs/dbraw/zinc/39/74/17/711397417.db2.gz RTSOOHBLQQKSSR-SNVBAGLBSA-N 1 1 232.283 2.539 20 10 BFCDMO Cc1ccc(O)c(C[NH2+][C@H]2CCCC2(F)F)c1 ZINC000398017624 711399885 /nfs/dbraw/zinc/39/98/85/711399885.db2.gz XUULYDGBYDNAHJ-LBPRGKRZSA-N 1 1 241.281 2.978 20 10 BFCDMO COc1cccc(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c1O ZINC000399634115 711432992 /nfs/dbraw/zinc/43/29/92/711432992.db2.gz WFOPWMJPUPKXOB-SRVKXCTJSA-N 1 1 249.354 2.877 20 10 BFCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](C)C2)c1O ZINC000125220230 711719075 /nfs/dbraw/zinc/71/90/75/711719075.db2.gz RMOPRIUMSJKFNY-NSHDSACASA-N 1 1 249.354 2.941 20 10 BFCDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2O)C1 ZINC000161351491 711811279 /nfs/dbraw/zinc/81/12/79/711811279.db2.gz SUADYFWVVTUKJX-MNOVXSKESA-N 1 1 205.301 2.623 20 10 BFCDMO COC[C@H](C[N@H+](C)c1ccc(N)cc1)C(C)C ZINC000721922160 711937345 /nfs/dbraw/zinc/93/73/45/711937345.db2.gz UXJBZSOSYWFCKN-LBPRGKRZSA-N 1 1 236.359 2.624 20 10 BFCDMO COC[C@H](C[N@@H+](C)c1ccc(N)cc1)C(C)C ZINC000721922160 711937346 /nfs/dbraw/zinc/93/73/46/711937346.db2.gz UXJBZSOSYWFCKN-LBPRGKRZSA-N 1 1 236.359 2.624 20 10 BFCDMO C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)[C@H]1C ZINC000708403181 712192535 /nfs/dbraw/zinc/19/25/35/712192535.db2.gz ZIEOEXVYMHKICB-BDAKNGLRSA-N 1 1 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RAMYGWUQPFSBJD-UHFFFAOYSA-N 1 1 249.688 2.976 20 10 BFCDMO C[N@@H+](CCCF)Cc1cc(Cl)c(F)cc1[O-] ZINC000895896509 583743739 /nfs/dbraw/zinc/74/37/39/583743739.db2.gz VWTNHOSQECKLQT-UHFFFAOYSA-N 1 1 249.688 2.976 20 10 BFCDMO C[N@H+](CCCF)Cc1cc(Cl)c(F)cc1O ZINC000895896509 583743741 /nfs/dbraw/zinc/74/37/41/583743741.db2.gz VWTNHOSQECKLQT-UHFFFAOYSA-N 1 1 249.688 2.976 20 10 BFCDMO C[N@@H+](CCCF)Cc1cc(Cl)c(F)cc1O ZINC000895896509 583743743 /nfs/dbraw/zinc/74/37/43/583743743.db2.gz VWTNHOSQECKLQT-UHFFFAOYSA-N 1 1 249.688 2.976 20 10 BFCDMO CC[C@H](C)C[NH2+]Cc1c(O)cccc1F ZINC000896638490 583819981 /nfs/dbraw/zinc/81/99/81/583819981.db2.gz VFLUVHHNXGWHEH-VIFPVBQESA-N 1 1 211.280 2.667 20 10 BFCDMO C[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2F)CS1 ZINC000896638981 583820064 /nfs/dbraw/zinc/82/00/64/583820064.db2.gz SIHGQNXJFKMIEZ-DTWKUNHWSA-N 1 1 241.331 2.515 20 10 BFCDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cc(C)cc(C)c1O ZINC000902636899 584648091 /nfs/dbraw/zinc/64/80/91/584648091.db2.gz HATXCJCZELOWJE-UONOGXRCSA-N 1 1 249.354 2.618 20 10 BFCDMO Oc1cccc(Cl)c1C[NH+]1CC(C(F)F)C1 ZINC000839141610 585094575 /nfs/dbraw/zinc/09/45/75/585094575.db2.gz SWAZJGUCYWDWRE-UHFFFAOYSA-N 1 1 247.672 2.743 20 10 BFCDMO C[N@@H+](Cc1cc2c(cc1O)CCC2)C1CCC1 ZINC000742169897 585122403 /nfs/dbraw/zinc/12/24/03/585122403.db2.gz LGCUJQJEDNNDRZ-UHFFFAOYSA-N 1 1 231.339 2.865 20 10 BFCDMO C[N@@H+](Cc1c(O)ccc2ccncc21)C1CCC1 ZINC000742173859 585122673 /nfs/dbraw/zinc/12/26/73/585122673.db2.gz YWPRICJHBBJNQJ-UHFFFAOYSA-N 1 1 242.322 2.925 20 10 BFCDMO COc1cccc(O)c1C[N@H+](C)Cc1ccco1 ZINC000768184165 585533513 /nfs/dbraw/zinc/53/35/13/585533513.db2.gz HCFUNRBRFJBKFV-UHFFFAOYSA-N 1 1 247.294 2.626 20 10 BFCDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccco1 ZINC000768184165 585533514 /nfs/dbraw/zinc/53/35/14/585533514.db2.gz HCFUNRBRFJBKFV-UHFFFAOYSA-N 1 1 247.294 2.626 20 10 BFCDMO COc1cc(C[N@H+]2C[C@H](C)C[C@@H]2C)c(O)cc1C ZINC000768445809 585538825 /nfs/dbraw/zinc/53/88/25/585538825.db2.gz 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/nfs/dbraw/zinc/55/84/90/585558490.db2.gz KRONBMUXAMESPF-GFCCVEGCSA-N 1 1 247.338 2.633 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@H]2C(C)C)c1 ZINC000775765368 585684109 /nfs/dbraw/zinc/68/41/09/585684109.db2.gz NFULEQOISDTNKG-ZDUSSCGKSA-N 1 1 219.328 2.931 20 10 BFCDMO Cn1cccc1C[N@@H+](C)Cc1cc(F)ccc1O ZINC000779018166 585743944 /nfs/dbraw/zinc/74/39/44/585743944.db2.gz DWUWAGGYEZIQSI-UHFFFAOYSA-N 1 1 248.301 2.502 20 10 BFCDMO C[C@@H]1C[C@@H]1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000788444055 585923877 /nfs/dbraw/zinc/92/38/77/585923877.db2.gz WYIJUKMXRLRBEW-TZMCWYRMSA-N 1 1 232.371 2.840 20 10 BFCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCCF ZINC000816556800 586740841 /nfs/dbraw/zinc/74/08/41/586740841.db2.gz UGDVRSIOQKHCAP-UHFFFAOYSA-N 1 1 235.661 2.634 20 10 BFCDMO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)[C@H]1C ZINC000816647072 586748515 /nfs/dbraw/zinc/74/85/15/586748515.db2.gz NDMKCHJIBPVLNC-IUCAKERBSA-N 1 1 225.719 2.886 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@@H]2C)c1 ZINC000816648401 586750468 /nfs/dbraw/zinc/75/04/68/586750468.db2.gz JYXMZYMWKMFFSD-QWRGUYRKSA-N 1 1 205.301 2.541 20 10 BFCDMO CC[C@H]([NH2+]C[C@@H]1CCCCN1)c1ccccc1O ZINC000817948532 586847328 /nfs/dbraw/zinc/84/73/28/586847328.db2.gz BDNHWZZJFOYCFI-JSGCOSHPSA-N 1 1 248.370 2.575 20 10 BFCDMO CCN(C)c1ccc([C@H](C)NCC(C)(C)[NH3+])cc1 ZINC000817960909 586851566 /nfs/dbraw/zinc/85/15/66/586851566.db2.gz UCBFDIJQGVZMAA-LBPRGKRZSA-N 1 1 249.402 2.531 20 10 BFCDMO CC[C@H](N[C@@H](C)[C@@H](C)[NH3+])c1ccc(N(C)C)cc1 ZINC000817977436 586861833 /nfs/dbraw/zinc/86/18/33/586861833.db2.gz KGFZWRLPTOEPAI-XUJVJEKNSA-N 1 1 249.402 2.529 20 10 BFCDMO CC[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1ccc(N(C)C)cc1 ZINC000817977436 586861835 /nfs/dbraw/zinc/86/18/35/586861835.db2.gz KGFZWRLPTOEPAI-XUJVJEKNSA-N 1 1 249.402 2.529 20 10 BFCDMO CC[C@H](N[C@H](C)[C@H](C)[NH3+])c1ccc(N(C)C)cc1 ZINC000817977437 586862297 /nfs/dbraw/zinc/86/22/97/586862297.db2.gz KGFZWRLPTOEPAI-ZOWXZIJZSA-N 1 1 249.402 2.529 20 10 BFCDMO CC[C@H]([NH2+][C@H](C)[C@H](C)N)c1ccc(N(C)C)cc1 ZINC000817977437 586862299 /nfs/dbraw/zinc/86/22/99/586862299.db2.gz KGFZWRLPTOEPAI-ZOWXZIJZSA-N 1 1 249.402 2.529 20 10 BFCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CC12CC2 ZINC000818230249 586880642 /nfs/dbraw/zinc/88/06/42/586880642.db2.gz OTNNEDFNPHTUDK-JTQLQIEISA-N 1 1 241.693 2.827 20 10 BFCDMO CCOc1cccc(C[N@H+]2CC[C@@H]2C2CC2)c1O ZINC000824651392 587280671 /nfs/dbraw/zinc/28/06/71/587280671.db2.gz ZWCNKVRJWYLSRQ-CYBMUJFWSA-N 1 1 247.338 2.775 20 10 BFCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](F)C2)c1O ZINC000824733356 587284697 /nfs/dbraw/zinc/28/46/97/587284697.db2.gz OWRZSRPTNDLIBZ-LLVKDONJSA-N 1 1 243.709 2.898 20 10 BFCDMO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](F)C2)c1O ZINC000824733356 587284695 /nfs/dbraw/zinc/28/46/95/587284695.db2.gz OWRZSRPTNDLIBZ-LLVKDONJSA-N 1 1 243.709 2.898 20 10 BFCDMO Oc1ccccc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000824914357 587293459 /nfs/dbraw/zinc/29/34/59/587293459.db2.gz QMTVQDZEXMJYCQ-ZDUSSCGKSA-N 1 1 249.379 2.720 20 10 BFCDMO CCc1nc(C[NH2+]Cc2cccc(C)c2O)co1 ZINC000825057417 587301087 /nfs/dbraw/zinc/30/10/87/587301087.db2.gz NENJGJIJUCSUQH-UHFFFAOYSA-N 1 1 246.310 2.541 20 10 BFCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CC1(C)C ZINC000827942056 587411817 /nfs/dbraw/zinc/41/18/17/587411817.db2.gz MDBURXAGNSDHQJ-GFCCVEGCSA-N 1 1 219.328 2.870 20 10 BFCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H](F)C2)cc1 ZINC000835055044 587779546 /nfs/dbraw/zinc/77/95/46/587779546.db2.gz PEPUKTALXKLCBM-RDFMZFSFSA-N 1 1 248.345 2.810 20 10 BFCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H](F)C2)cc1 ZINC000835055044 587779547 /nfs/dbraw/zinc/77/95/47/587779547.db2.gz PEPUKTALXKLCBM-RDFMZFSFSA-N 1 1 248.345 2.810 20 10 BFCDMO CC[C@@H]1C[C@H](C[NH2+]c2ccc(N)cc2)CCO1 ZINC000841040588 587938695 /nfs/dbraw/zinc/93/86/95/587938695.db2.gz VABQGDHKOAAHLF-BXUZGUMPSA-N 1 1 234.343 2.886 20 10 BFCDMO COc1cccc(O)c1C[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000841891290 587982262 /nfs/dbraw/zinc/98/22/62/587982262.db2.gz XRYJCKRLWZMUTK-QJPTWQEYSA-N 1 1 249.354 2.877 20 10 BFCDMO CCc1cccc(C[N@@H+](C)Cc2ccc[nH]2)c1O ZINC000848890055 588418060 /nfs/dbraw/zinc/41/80/60/588418060.db2.gz QOBAIXZUPLKAQY-UHFFFAOYSA-N 1 1 244.338 2.915 20 10 BFCDMO CCC[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862216679 589194631 /nfs/dbraw/zinc/19/46/31/589194631.db2.gz PRSDSPCNKZSNAY-UHFFFAOYSA-N 1 1 242.313 2.873 20 10 BFCDMO C/C=C/C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000862530829 589218488 /nfs/dbraw/zinc/21/84/88/589218488.db2.gz UJNZPXQMRFLVSN-NSCUHMNNSA-N 1 1 229.682 2.850 20 10 BFCDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(C)c1O ZINC000124511815 590036870 /nfs/dbraw/zinc/03/68/70/590036870.db2.gz QSMVFYSMZZZXEY-GXTWGEPZSA-N 1 1 249.354 2.700 20 10 BFCDMO Cc1cccc(C[N@@H+](C)CC2CCOCC2)c1O ZINC000124598327 590061011 /nfs/dbraw/zinc/06/10/11/590061011.db2.gz OGWHBMCFVHKFNG-UHFFFAOYSA-N 1 1 249.354 2.559 20 10 BFCDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000876512130 590205790 /nfs/dbraw/zinc/20/57/90/590205790.db2.gz GSCLZNAOSVOARC-CQSZACIVSA-N 1 1 249.354 2.702 20 10 BFCDMO Cc1ccc(C[N@H+]2CCC(C)(C)C2)c(O)c1 ZINC000876725049 590233270 /nfs/dbraw/zinc/23/32/70/590233270.db2.gz CVIKRDHHPCOLIG-UHFFFAOYSA-N 1 1 219.328 2.933 20 10 BFCDMO COC[C@@H]1CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000876725507 590233693 /nfs/dbraw/zinc/23/36/93/590233693.db2.gz LTBVEMZRUYFMPE-CYBMUJFWSA-N 1 1 249.354 2.559 20 10 BFCDMO Cc1ccc(C[N@H+]2CCOC(C)(C)[C@H]2C)c(O)c1 ZINC000876749908 590237313 /nfs/dbraw/zinc/23/73/13/590237313.db2.gz OPXKDPIFABQUMV-GFCCVEGCSA-N 1 1 249.354 2.700 20 10 BFCDMO Cc1cccc(O)c1C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000876760757 590238826 /nfs/dbraw/zinc/23/88/26/590238826.db2.gz XFUDUWNYXYTOFS-PWSUYJOCSA-N 1 1 219.328 2.931 20 10 BFCDMO Cc1cccc(O)c1C[N@H+](C)Cc1nccs1 ZINC000876760700 590238852 /nfs/dbraw/zinc/23/88/52/590238852.db2.gz OSTZDGFQWROSSJ-UHFFFAOYSA-N 1 1 248.351 2.789 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1nccs1 ZINC000876760700 590238853 /nfs/dbraw/zinc/23/88/53/590238853.db2.gz OSTZDGFQWROSSJ-UHFFFAOYSA-N 1 1 248.351 2.789 20 10 BFCDMO Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c(O)c1 ZINC000876799181 590242868 /nfs/dbraw/zinc/24/28/68/590242868.db2.gz AOSHBVUUBWXDFZ-NEPJUHHUSA-N 1 1 219.328 2.931 20 10 BFCDMO CC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000876805608 590244570 /nfs/dbraw/zinc/24/45/70/590244570.db2.gz CPJJBAYHCITNRA-GFCCVEGCSA-N 1 1 219.328 2.933 20 10 BFCDMO COC(C)(C)C[N@@H+](C)Cc1ccc(C)cc1O ZINC000876808693 590245061 /nfs/dbraw/zinc/24/50/61/590245061.db2.gz MCBRXSOEHZMXNP-UHFFFAOYSA-N 1 1 237.343 2.557 20 10 BFCDMO Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)c(O)c1 ZINC000877164657 590294996 /nfs/dbraw/zinc/29/49/96/590294996.db2.gz BZRHPDGVEDHARR-DGCLKSJQSA-N 1 1 237.318 2.881 20 10 BFCDMO CO[C@@H]1CCC[N@@H+](Cc2c(C)cccc2O)CC1 ZINC000877196755 590300031 /nfs/dbraw/zinc/30/00/31/590300031.db2.gz JIMJFWVEPALNAQ-CYBMUJFWSA-N 1 1 249.354 2.702 20 10 BFCDMO Cc1ccc(C[N@@H+](C)Cc2ccncc2)c(O)c1 ZINC000877318317 590314115 /nfs/dbraw/zinc/31/41/15/590314115.db2.gz WQZHGOAKQAGKKN-UHFFFAOYSA-N 1 1 242.322 2.728 20 10 BFCDMO Cc1cccc(O)c1C[NH2+][C@@H]1CCCC1(F)F ZINC000877533990 590349885 /nfs/dbraw/zinc/34/98/85/590349885.db2.gz YVTSIMFMZMXYEG-GFCCVEGCSA-N 1 1 241.281 2.978 20 10 BFCDMO CCC(F)(F)C[NH2+]Cc1c(C)cccc1O ZINC000877655159 590384784 /nfs/dbraw/zinc/38/47/84/590384784.db2.gz PXSVGKJFHLPUIN-UHFFFAOYSA-N 1 1 229.270 2.836 20 10 BFCDMO C[C@@]1(C[N@H+]2Cc3cccc(O)c3C2)CCCS1 ZINC000877702945 590396538 /nfs/dbraw/zinc/39/65/38/590396538.db2.gz LGXYSRQWGCPAKQ-AWEZNQCLSA-N 1 1 249.379 2.994 20 10 BFCDMO Cc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cn1 ZINC000877703276 590396574 /nfs/dbraw/zinc/39/65/74/590396574.db2.gz ZKPKMQLMDFVPRF-UHFFFAOYSA-N 1 1 240.306 2.611 20 10 BFCDMO Cc1ccc(C[N@H+]2Cc3cccc(O)c3C2)cn1 ZINC000877703276 590396575 /nfs/dbraw/zinc/39/65/75/590396575.db2.gz ZKPKMQLMDFVPRF-UHFFFAOYSA-N 1 1 240.306 2.611 20 10 BFCDMO CC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000877976700 590464482 /nfs/dbraw/zinc/46/44/82/590464482.db2.gz IPNJZBITUBLPDD-UHFFFAOYSA-N 1 1 248.370 2.552 20 10 BFCDMO CC[C@@H]1CCC[N@H+]1Cc1cccc(OC)c1O ZINC000132434322 591707752 /nfs/dbraw/zinc/70/77/52/591707752.db2.gz RKXYUMZBBCGTAG-GFCCVEGCSA-N 1 1 235.327 2.775 20 10 BFCDMO CCOCCC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886487418 592234689 /nfs/dbraw/zinc/23/46/89/592234689.db2.gz CMVUESLUVXSKRQ-JTQLQIEISA-N 1 1 241.306 2.609 20 10 BFCDMO C[C@@H]([NH2+]CC1CCC1)c1c(O)cccc1F ZINC000886513111 592241182 /nfs/dbraw/zinc/24/11/82/592241182.db2.gz UHYPDFGONBYISG-SECBINFHSA-N 1 1 223.291 2.982 20 10 BFCDMO CSC[C@@H](C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886530783 592247592 /nfs/dbraw/zinc/24/75/92/592247592.db2.gz QEUGJCFTHHJTOH-BDAKNGLRSA-N 1 1 243.347 2.933 20 10 BFCDMO C[C@H]([NH2+]C1CC=CC1)c1c(O)cccc1F ZINC000886541610 592255530 /nfs/dbraw/zinc/25/55/30/592255530.db2.gz YLFWQQAKBOAKJI-VIFPVBQESA-N 1 1 221.275 2.901 20 10 BFCDMO CS[C@@H](C)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886555402 592258411 /nfs/dbraw/zinc/25/84/11/592258411.db2.gz RJKCBKXDYUJNSP-IUCAKERBSA-N 1 1 243.347 2.933 20 10 BFCDMO C[C@H]([NH2+]CCCF)c1c(O)cccc1F ZINC000886551803 592258571 /nfs/dbraw/zinc/25/85/71/592258571.db2.gz OTXGIHBOZOCCJD-QMMMGPOBSA-N 1 1 215.243 2.542 20 10 BFCDMO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886596926 592272373 /nfs/dbraw/zinc/27/23/73/592272373.db2.gz RTFGHYPNYJVYKC-GUBZILKMSA-N 1 1 241.306 2.605 20 10 BFCDMO C[C@@H](F)CC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886616182 592275354 /nfs/dbraw/zinc/27/53/54/592275354.db2.gz WLJUWIXQNTUOFI-BDAKNGLRSA-N 1 1 229.270 2.930 20 10 BFCDMO CC[C@H](C[NH2+][C@H](C)c1c(O)cccc1F)OC ZINC000886612124 592276406 /nfs/dbraw/zinc/27/64/06/592276406.db2.gz CKCNQAQEPDZNPA-NXEZZACHSA-N 1 1 241.306 2.607 20 10 BFCDMO CCN(C)c1ccc(C[N@@H+](C)CCCF)cc1 ZINC000887141077 592454335 /nfs/dbraw/zinc/45/43/35/592454335.db2.gz FHGCNBVKVCWZLC-UHFFFAOYSA-N 1 1 238.350 2.934 20 10 BFCDMO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(F)cc1O ZINC000309288914 631993763 /nfs/dbraw/zinc/99/37/63/631993763.db2.gz JFIOFBIJZYAQTM-VDDIYKPWSA-N 1 1 223.291 2.980 20 10 BFCDMO Cc1cccc(C[N@H+]2CCC(C)(C)C2)c1O ZINC000162819800 633039978 /nfs/dbraw/zinc/03/99/78/633039978.db2.gz JFOFUOUXPPYNKH-UHFFFAOYSA-N 1 1 219.328 2.933 20 10 BFCDMO Cc1cccc(C[N@@H+](C)Cc2ccns2)c1O ZINC000895453192 636145013 /nfs/dbraw/zinc/14/50/13/636145013.db2.gz FDVUZCYPGUXRJI-UHFFFAOYSA-N 1 1 248.351 2.789 20 10 BFCDMO CC[C@H]1C[N@@H+](Cc2cc(C)cc(C)c2O)CCO1 ZINC000163882767 640422401 /nfs/dbraw/zinc/42/24/01/640422401.db2.gz URQAEOFUXDXDJA-AWEZNQCLSA-N 1 1 249.354 2.620 20 10 BFCDMO Cc1cc(C)c(O)c(C[N@@H+](C)CC2CC2)c1 ZINC000164190250 640455867 /nfs/dbraw/zinc/45/58/67/640455867.db2.gz FWQKVNLAACLZTC-UHFFFAOYSA-N 1 1 219.328 2.851 20 10 BFCDMO CC[N@H+](Cc1cc(C)cc(OC)c1O)CC1CC1 ZINC000164326624 640469585 /nfs/dbraw/zinc/46/95/85/640469585.db2.gz VHHBBLIEHMYKNT-UHFFFAOYSA-N 1 1 249.354 2.941 20 10 BFCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1O ZINC000164452082 640484598 /nfs/dbraw/zinc/48/45/98/640484598.db2.gz HEGATEVGILEQPD-NEPJUHHUSA-N 1 1 249.354 2.940 20 10 BFCDMO COC[C@@H]1CCC[N@H+]1Cc1cc(C)cc(C)c1O ZINC000164455339 640485078 /nfs/dbraw/zinc/48/50/78/640485078.db2.gz ZKXPVHOQMNHONO-AWEZNQCLSA-N 1 1 249.354 2.620 20 10 BFCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H](C)[C@@H]2C)c1 ZINC000164513922 640489592 /nfs/dbraw/zinc/48/95/92/640489592.db2.gz AUSHWDOJRVJUBK-QWHCGFSZSA-N 1 1 249.354 2.618 20 10 BFCDMO CCc1cc(NCc2ccccc2O)nc(C)[nH+]1 ZINC000167223476 640707427 /nfs/dbraw/zinc/70/74/27/640707427.db2.gz PWBWOPMNCQDUEB-UHFFFAOYSA-N 1 1 243.310 2.665 20 10 BFCDMO C[C@H]([NH2+]Cc1ccoc1)c1ccc(F)cc1O ZINC000168736607 640822914 /nfs/dbraw/zinc/82/29/14/640822914.db2.gz SCNHNCOOJAGOPO-VIFPVBQESA-N 1 1 235.258 2.975 20 10 BFCDMO CSC1(C[NH2+]Cc2cccc(F)c2O)CC1 ZINC000228090378 640860696 /nfs/dbraw/zinc/86/06/96/640860696.db2.gz ZGTCVVMXPFNDBP-UHFFFAOYSA-N 1 1 241.331 2.517 20 10 BFCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)CC1CC1 ZINC000171992145 641027178 /nfs/dbraw/zinc/02/71/78/641027178.db2.gz WLVLQRLJIYAPRH-UHFFFAOYSA-N 1 1 232.371 2.985 20 10 BFCDMO C[C@@H]([NH2+]Cc1ccco1)c1ccc(F)cc1O ZINC000062744665 641083681 /nfs/dbraw/zinc/08/36/81/641083681.db2.gz STSHRRVPYWVILT-SECBINFHSA-N 1 1 235.258 2.975 20 10 BFCDMO CCOC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062748350 641090637 /nfs/dbraw/zinc/09/06/37/641090637.db2.gz IQONSKSADRUGQN-VHSXEESVSA-N 1 1 241.306 2.607 20 10 BFCDMO CN(C)c1ccc(C[N@@H+](C)CCC2CC2)cc1 ZINC000173499028 641180468 /nfs/dbraw/zinc/18/04/68/641180468.db2.gz YKJADCFFZGAPBH-UHFFFAOYSA-N 1 1 232.371 2.985 20 10 BFCDMO CCO[C@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000155452354 641570807 /nfs/dbraw/zinc/57/08/07/641570807.db2.gz WZQXLJYKLCCMEZ-AWEZNQCLSA-N 1 1 249.354 2.702 20 10 BFCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1C ZINC000045723092 641615272 /nfs/dbraw/zinc/61/52/72/641615272.db2.gz MLISERKPYUDFGN-QWHCGFSZSA-N 1 1 249.354 2.618 20 10 BFCDMO C[N@H+]1CCC[C@@H]1CSc1ncc(Cl)s1 ZINC000918096584 642168702 /nfs/dbraw/zinc/16/87/02/642168702.db2.gz WCEVWBMCXMSCNW-SSDOTTSWSA-N 1 1 248.804 2.983 20 10 BFCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)CCO1 ZINC000074068106 644168811 /nfs/dbraw/zinc/16/88/11/644168811.db2.gz QHXYDLMCKXRTIP-CQSZACIVSA-N 1 1 249.354 2.620 20 10 BFCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1 ZINC000245840602 644544447 /nfs/dbraw/zinc/54/44/47/644544447.db2.gz JOIASYBCDGHVFY-MNOVXSKESA-N 1 1 235.327 2.631 20 10 BFCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@@H]2C)c1 ZINC000245840609 644544984 /nfs/dbraw/zinc/54/49/84/644544984.db2.gz JOIASYBCDGHVFY-QWRGUYRKSA-N 1 1 235.327 2.631 20 10 BFCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H](C)[C@H]2C)c1 ZINC000246049424 644559803 /nfs/dbraw/zinc/55/98/03/644559803.db2.gz AUSHWDOJRVJUBK-OLZOCXBDSA-N 1 1 249.354 2.618 20 10 BFCDMO CCC[N@@H+](C)Cc1ccc(N(C)CC)cc1 ZINC000773758008 644696049 /nfs/dbraw/zinc/69/60/49/644696049.db2.gz VTNIDYKBOAARCR-UHFFFAOYSA-N 1 1 220.360 2.985 20 10 BFCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](C)C2)cc1 ZINC000773758049 644696572 /nfs/dbraw/zinc/69/65/72/644696572.db2.gz VZKJCBZIBOPEIE-CYBMUJFWSA-N 1 1 232.371 2.985 20 10 BFCDMO CCC[N@@H+](CCOC1CC1)Cc1ccccc1O ZINC000929753665 646286627 /nfs/dbraw/zinc/28/66/27/646286627.db2.gz UHQSCJZKBMUAJK-UHFFFAOYSA-N 1 1 249.354 2.783 20 10 BFCDMO CC[C@@H]1C[C@H]1C[N@@H+](C)Cc1ccccc1O ZINC000929976264 646381716 /nfs/dbraw/zinc/38/17/16/646381716.db2.gz MRINKWHLXGYBPD-YPMHNXCESA-N 1 1 219.328 2.870 20 10 BFCDMO Oc1c(F)cc(F)cc1C[NH2+]CC1CCC1 ZINC000708394393 712192349 /nfs/dbraw/zinc/19/23/49/712192349.db2.gz YQIYPMSQXNEMIQ-UHFFFAOYSA-N 1 1 227.254 2.560 20 10 BFCDMO C[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000708397331 712192882 /nfs/dbraw/zinc/19/28/82/712192882.db2.gz BJCWANUWJZFENW-MRVPVSSYSA-N 1 1 227.254 2.655 20 10 BFCDMO C[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000708397331 712192884 /nfs/dbraw/zinc/19/28/84/712192884.db2.gz BJCWANUWJZFENW-MRVPVSSYSA-N 1 1 227.254 2.655 20 10 BFCDMO Oc1c(F)cc(F)cc1C[NH2+]CC1CCCC1 ZINC000708442486 712195268 /nfs/dbraw/zinc/19/52/68/712195268.db2.gz MMVFVGPBQKXWKM-UHFFFAOYSA-N 1 1 241.281 2.950 20 10 BFCDMO C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(F)cc1O ZINC000393502895 710609169 /nfs/dbraw/zinc/60/91/69/710609169.db2.gz VRYBFHRNQARMPX-DTWKUNHWSA-N 1 1 229.270 2.930 20 10 BFCDMO C[C@H]([NH2+][C@@H](C)C(F)F)c1ccccc1O ZINC000389967476 711101362 /nfs/dbraw/zinc/10/13/62/711101362.db2.gz OOOMSHSVNNVCQL-YUMQZZPRSA-N 1 1 215.243 2.696 20 10 BFCDMO CC[C@H]([NH2+]CCSC)c1ccc(F)cc1O ZINC000390674442 711132147 /nfs/dbraw/zinc/13/21/47/711132147.db2.gz WTLXVQMYWJOVDO-NSHDSACASA-N 1 1 243.347 2.935 20 10 BFCDMO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1csnn1 ZINC000398467612 711411146 /nfs/dbraw/zinc/41/11/46/711411146.db2.gz LUXNSSQCSJHZLS-RKDXNWHRSA-N 1 1 249.339 2.656 20 10 BFCDMO CC[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H](CC)O1 ZINC000398765573 711414622 /nfs/dbraw/zinc/41/46/22/711414622.db2.gz GOTWZQIEYNPXSN-OKILXGFUSA-N 1 1 249.354 2.782 20 10 BFCDMO CS[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000164636121 711682401 /nfs/dbraw/zinc/68/24/01/711682401.db2.gz QMIVGPYKHKABKZ-BDAKNGLRSA-N 1 1 243.347 2.933 20 10 BFCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](C)C2)c1O ZINC000125220510 711718890 /nfs/dbraw/zinc/71/88/90/711718890.db2.gz RMOPRIUMSJKFNY-LLVKDONJSA-N 1 1 249.354 2.941 20 10 BFCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000313474093 711855772 /nfs/dbraw/zinc/85/57/72/711855772.db2.gz VZQYDDXGZXXVGW-AWEZNQCLSA-N 1 1 249.354 2.783 20 10 BFCDMO Cc1cccc(C[N@H+]2CCOC(C)(C)[C@H]2C)c1O ZINC000707696723 712176759 /nfs/dbraw/zinc/17/67/59/712176759.db2.gz GDHBKHXRZYJLMA-GFCCVEGCSA-N 1 1 249.354 2.700 20 10 BFCDMO C[C@@H]1C[C@H](C)[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708402883 712192853 /nfs/dbraw/zinc/19/28/53/712192853.db2.gz XHOUNLIXZGTIDO-BDAKNGLRSA-N 1 1 241.281 2.901 20 10 BFCDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708402883 712192854 /nfs/dbraw/zinc/19/28/54/712192854.db2.gz XHOUNLIXZGTIDO-BDAKNGLRSA-N 1 1 241.281 2.901 20 10 BFCDMO C[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708415281 712193759 /nfs/dbraw/zinc/19/37/59/712193759.db2.gz WFXNPJXGSYYSRX-SECBINFHSA-N 1 1 241.281 2.902 20 10 BFCDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708415281 712193760 /nfs/dbraw/zinc/19/37/60/712193760.db2.gz WFXNPJXGSYYSRX-SECBINFHSA-N 1 1 241.281 2.902 20 10 BFCDMO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708440914 712194830 /nfs/dbraw/zinc/19/48/30/712194830.db2.gz FPWLWBOEDTWZMO-LDYMZIIASA-N 1 1 241.281 2.949 20 10 BFCDMO Oc1c(F)cc(F)cc1C[NH2+]CCC1CCC1 ZINC000708445765 712195248 /nfs/dbraw/zinc/19/52/48/712195248.db2.gz YIZPTRDWPDEDGD-UHFFFAOYSA-N 1 1 241.281 2.950 20 10 BFCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@H](C(C)C)C2)c1 ZINC000709021713 712206267 /nfs/dbraw/zinc/20/62/67/712206267.db2.gz RYXLOULJYZMKKO-HNNXBMFYSA-N 1 1 249.354 2.557 20 10 BFCDMO Oc1ccccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000711474499 712304114 /nfs/dbraw/zinc/30/41/14/712304114.db2.gz FMKZNPTUXNPXMC-NSHDSACASA-N 1 1 223.291 2.574 20 10 BFCDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC000399317815 958636180 /nfs/dbraw/zinc/63/61/80/958636180.db2.gz XCJOZRWHERDGRQ-CQSZACIVSA-N 1 1 218.344 2.891 20 10 BFCDMO C[N@H+](Cc1cc(F)ccc1O)CC1CCC1 ZINC000183254427 970789582 /nfs/dbraw/zinc/78/95/82/970789582.db2.gz ILMAPOUPFJNAAW-UHFFFAOYSA-N 1 1 223.291 2.763 20 10 BFCDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccccc1O ZINC000403888190 971085929 /nfs/dbraw/zinc/08/59/29/971085929.db2.gz VVDYMKKWDRFIKZ-KGLIPLIRSA-N 1 1 249.354 2.782 20 10 BFCDMO CC[C@@H](C)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001257445418 971361621 /nfs/dbraw/zinc/36/16/21/971361621.db2.gz CEXPVWRCTCYJEB-SNVBAGLBSA-N 1 1 235.327 2.645 20 10 BFCDMO CC[N@@H+](Cc1ccccc1O)[C@H]1CCCOCC1 ZINC001170830745 971947532 /nfs/dbraw/zinc/94/75/32/971947532.db2.gz GLAWHQFLAOEOJO-AWEZNQCLSA-N 1 1 249.354 2.783 20 10 BFCDMO Cc1cccc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c1O ZINC000694862015 960015125 /nfs/dbraw/zinc/01/51/25/960015125.db2.gz UWULNSFTQOYNBD-OLZOCXBDSA-N 1 1 249.354 2.700 20 10 BFCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001140620572 960466893 /nfs/dbraw/zinc/46/68/93/960466893.db2.gz SXHUCIPUFHQQNA-WCFLWFBJSA-N 1 1 235.302 2.633 20 10 BFCDMO Cc1c(O)ccc(C[N@H+]2CCCC23CC3)c1O ZINC001140742693 960545447 /nfs/dbraw/zinc/54/54/47/960545447.db2.gz VOPZBAVVGMFYKS-UHFFFAOYSA-N 1 1 233.311 2.535 20 10 BFCDMO Cc1c(O)ccc(C[N@H+]2CCCC2(C)C)c1O ZINC001140742349 960546316 /nfs/dbraw/zinc/54/63/16/960546316.db2.gz LHRHIXKMLVPPFK-UHFFFAOYSA-N 1 1 235.327 2.781 20 10 BFCDMO Cc1c(O)ccc(C[N@@H+]2C[C@H](C)CC23CC3)c1O ZINC001140748424 960551992 /nfs/dbraw/zinc/55/19/92/960551992.db2.gz ZMPJSDDAZBSYDM-SNVBAGLBSA-N 1 1 247.338 2.781 20 10 BFCDMO Cc1c(O)ccc(C[N@H+](C)C(C)(C)C)c1O ZINC001140746182 960554047 /nfs/dbraw/zinc/55/40/47/960554047.db2.gz VNJDXIJCYZMKPQ-UHFFFAOYSA-N 1 1 223.316 2.637 20 10 BFCDMO COCC[N@@H+](Cc1ccc(C)cc1O)C(C)C ZINC001140950023 960740949 /nfs/dbraw/zinc/74/09/49/960740949.db2.gz RADISDHRWQJLBO-UHFFFAOYSA-N 1 1 237.343 2.557 20 10 BFCDMO Cc1ccc(C[N@H+](C)C2CC(F)(F)C2)c(O)c1 ZINC001140948428 960749948 /nfs/dbraw/zinc/74/99/48/960749948.db2.gz GYDOIMQYWUDLNY-UHFFFAOYSA-N 1 1 241.281 2.930 20 10 BFCDMO Oc1ccc(O)c(C[N@H+]2CCC23CCCC3)c1 ZINC001141156733 960891204 /nfs/dbraw/zinc/89/12/04/960891204.db2.gz SIZKDOCUWMWJKQ-UHFFFAOYSA-N 1 1 233.311 2.616 20 10 BFCDMO Oc1ccc(O)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC001141156741 960892147 /nfs/dbraw/zinc/89/21/47/960892147.db2.gz SQCZINYBGYHGGO-TXEJJXNPSA-N 1 1 247.338 2.720 20 10 BFCDMO C[N@H+](Cc1cc(O)ccc1O)C[C@@H]1CC1(C)C ZINC001141161181 960895339 /nfs/dbraw/zinc/89/53/39/960895339.db2.gz OBFSQIZQFBWYMD-NSHDSACASA-N 1 1 235.327 2.576 20 10 BFCDMO CC[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141160954 960895461 /nfs/dbraw/zinc/89/54/61/960895461.db2.gz KVLXZANNADXOOC-LLVKDONJSA-N 1 1 235.327 2.720 20 10 BFCDMO C[C@@H]1CCCCC[N@H+]1Cc1cc(O)ccc1O ZINC001141158853 960895549 /nfs/dbraw/zinc/89/55/49/960895549.db2.gz PETFCPSQDPGAEN-LLVKDONJSA-N 1 1 235.327 2.862 20 10 BFCDMO Oc1ccc(O)c(C[N@H+]2CCC3(CCCC3)C2)c1 ZINC001141160036 960896498 /nfs/dbraw/zinc/89/64/98/960896498.db2.gz PNTSUGUDCMJLIL-UHFFFAOYSA-N 1 1 247.338 2.864 20 10 BFCDMO C[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142501821 961458901 /nfs/dbraw/zinc/45/89/01/961458901.db2.gz BHCYPCGREJMTSN-VIFPVBQESA-N 1 1 241.281 2.902 20 10 BFCDMO C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142501821 961458910 /nfs/dbraw/zinc/45/89/10/961458910.db2.gz BHCYPCGREJMTSN-VIFPVBQESA-N 1 1 241.281 2.902 20 10 BFCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCCC12CC2 ZINC001142508706 961464575 /nfs/dbraw/zinc/46/45/75/961464575.db2.gz ISNWWSWROXHMDE-UHFFFAOYSA-N 1 1 239.265 2.799 20 10 BFCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCCC12CC2 ZINC001142508706 961464583 /nfs/dbraw/zinc/46/45/83/961464583.db2.gz ISNWWSWROXHMDE-UHFFFAOYSA-N 1 1 239.265 2.799 20 10 BFCDMO Cc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC000132687559 962469793 /nfs/dbraw/zinc/46/97/93/962469793.db2.gz MMKHFZOIFRZLKV-WCQYABFASA-N 1 1 217.312 2.685 20 10 BFCDMO Cc1cnsc1C[N@H+](C)Cc1ccccc1O ZINC001233322070 965492790 /nfs/dbraw/zinc/49/27/90/965492790.db2.gz QJHIFQRODOAUEY-UHFFFAOYSA-N 1 1 248.351 2.789 20 10 BFCDMO CNc1ccccc1NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001165290111 966030948 /nfs/dbraw/zinc/03/09/48/966030948.db2.gz OCPNGBCIWBZFHA-ZDUSSCGKSA-N 1 1 247.386 2.872 20 10 BFCDMO C[C@]1(F)CC[N@@H+](Cc2ccccc2O)C[C@@H]1F ZINC001203550515 966679271 /nfs/dbraw/zinc/67/92/71/966679271.db2.gz WSCNSXLZKPTCLJ-STQMWFEESA-N 1 1 241.281 2.664 20 10 BFCDMO Oc1ccccc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001203550535 966682152 /nfs/dbraw/zinc/68/21/52/966682152.db2.gz YEZRPVWLUQLBLJ-HNNXBMFYSA-N 1 1 247.338 2.537 20 10 BFCDMO CCOc1cccc(C[N@H+]2CCC[C@H]3C[C@H]32)c1O ZINC001203614894 966704193 /nfs/dbraw/zinc/70/41/93/966704193.db2.gz GBVDIYWLGDGDKX-WCQYABFASA-N 1 1 247.338 2.775 20 10 BFCDMO COc1ccc(C[N@@H+](C)C2CC(C)C2)c(O)c1 ZINC001203620347 966709614 /nfs/dbraw/zinc/70/96/14/966709614.db2.gz AHSWPLSFPZISEN-UHFFFAOYSA-N 1 1 235.327 2.631 20 10 BFCDMO COc1ccc(C[N@H+]2CCCCC23CC3)c(O)c1 ZINC001203628490 966715625 /nfs/dbraw/zinc/71/56/25/966715625.db2.gz ATNHVVMAPADFHH-UHFFFAOYSA-N 1 1 247.338 2.919 20 10 BFCDMO C[C@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)[C@H]1C ZINC001203878130 966806668 /nfs/dbraw/zinc/80/66/68/966806668.db2.gz BXOZAXFMXVCWDW-QWRGUYRKSA-N 1 1 235.327 2.718 20 10 BFCDMO Oc1ccc(C[N@H+]2CCC23CCCC3)c(O)c1 ZINC001204276123 966955823 /nfs/dbraw/zinc/95/58/23/966955823.db2.gz HOPCZLAVVLWGBD-UHFFFAOYSA-N 1 1 233.311 2.616 20 10 BFCDMO CCC(CC)[N@@H+](C)Cc1ccc(O)cc1O ZINC001204281081 966959002 /nfs/dbraw/zinc/95/90/02/966959002.db2.gz QALFUDFVJAEGQK-UHFFFAOYSA-N 1 1 223.316 2.718 20 10 BFCDMO CC1(CC[NH2+]Cc2cc(F)c(F)cc2O)CC1 ZINC001205642955 967742225 /nfs/dbraw/zinc/74/22/25/967742225.db2.gz RYFDUKBJROBFCT-UHFFFAOYSA-N 1 1 241.281 2.950 20 10 BFCDMO CCC(F)(F)C[NH2+]Cc1ccccc1O ZINC000697577456 968015199 /nfs/dbraw/zinc/01/51/99/968015199.db2.gz KSYRAVLWGBJKEC-UHFFFAOYSA-N 1 1 215.243 2.527 20 10 BFCDMO COc1ccc(C[N@@H+](C)C(C)(C)C)c(O)c1 ZINC000381929209 969168042 /nfs/dbraw/zinc/16/80/42/969168042.db2.gz PGDJRTVWEXDMDB-UHFFFAOYSA-N 1 1 223.316 2.631 20 10 BFCDMO C[C@@H]1CC[C@@H]([N@H+]2CCc3cccc(O)c3C2)C1 ZINC001170150933 970453024 /nfs/dbraw/zinc/45/30/24/970453024.db2.gz PXDYXPPAPAXMON-DGCLKSJQSA-N 1 1 231.339 2.939 20 10 BFCDMO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1c(O)cccc1F ZINC001333466910 975802687 /nfs/dbraw/zinc/80/26/87/975802687.db2.gz OGIQNPHLXKDLFB-ATZCPNFKSA-N 1 1 223.291 2.980 20 10 BFCDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(N)cc1 ZINC001334754203 976625468 /nfs/dbraw/zinc/62/54/68/976625468.db2.gz LYNBPYFLKBSLON-LLVKDONJSA-N 1 1 218.344 2.889 20 10 BFCDMO Cc1cccc(C[N@@H+]2C[C@@H](F)C[C@H]2C)c1O ZINC001231590662 977643497 /nfs/dbraw/zinc/64/34/97/977643497.db2.gz DJSKIEDGFBGMLB-PWSUYJOCSA-N 1 1 223.291 2.633 20 10 BFCDMO Cc1cccc(C[N@@H+]2C[C@@H](F)C[C@H]2CF)c1O ZINC001231590582 977644655 /nfs/dbraw/zinc/64/46/55/977644655.db2.gz BKQFQPZADWARGT-RYUDHWBXSA-N 1 1 241.281 2.583 20 10 BFCDMO Cc1cccc(C[N@H+]2C[C@@H](F)C[C@H]2CF)c1O ZINC001231590582 977644660 /nfs/dbraw/zinc/64/46/60/977644660.db2.gz BKQFQPZADWARGT-RYUDHWBXSA-N 1 1 241.281 2.583 20 10 BFCDMO Cc1cc(C)c(C[N@@H+]2CCC(=O)C[C@@H]2C)c(O)c1 ZINC001231841900 977755883 /nfs/dbraw/zinc/75/58/83/977755883.db2.gz GFPBKNOYPMIUPQ-LBPRGKRZSA-N 1 1 247.338 2.562 20 10 BFCDMO Cc1cc(C)c(C[N@H+]2CCC[C@@H](F)C2)c(O)c1 ZINC001231845987 977764489 /nfs/dbraw/zinc/76/44/89/977764489.db2.gz WXWNVIIUABICQE-GFCCVEGCSA-N 1 1 237.318 2.943 20 10 BFCDMO Cc1cc(C)c(C[N@H+]2CCCO[C@@H](C)C2)c(O)c1 ZINC001231843523 977764681 /nfs/dbraw/zinc/76/46/81/977764681.db2.gz ZWMNVWWWWIKHSV-ZDUSSCGKSA-N 1 1 249.354 2.620 20 10 BFCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C)C1 ZINC001231847599 977768584 /nfs/dbraw/zinc/76/85/84/977768584.db2.gz AKPBANJCWAOPQZ-LBPRGKRZSA-N 1 1 248.370 2.603 20 10 BFCDMO CC(=O)[C@@H]1CCC[N@H+]1Cc1c(C)cc(C)cc1O ZINC001231848445 977771519 /nfs/dbraw/zinc/77/15/19/977771519.db2.gz IBEDMFNAPVQLDT-AWEZNQCLSA-N 1 1 247.338 2.562 20 10 BFCDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232260004 977989465 /nfs/dbraw/zinc/98/94/65/977989465.db2.gz OHBMPDSVZFKAOX-MRVPVSSYSA-N 1 1 241.718 2.593 20 10 BFCDMO CN(C)c1ccc(C[N@@H+](C)CC2CCC2)c(O)c1 ZINC001232838542 978309333 /nfs/dbraw/zinc/30/93/33/978309333.db2.gz GZVFSMMXWBGLRY-UHFFFAOYSA-N 1 1 248.370 2.690 20 10 BFCDMO CC1CC([N@@H+](C)Cc2c([O-])ccc(F)c2F)C1 ZINC001233332763 978568212 /nfs/dbraw/zinc/56/82/12/978568212.db2.gz WSRQUYQBYLHAPV-UHFFFAOYSA-N 1 1 241.281 2.901 20 10 BFCDMO CC1CC([N@H+](C)Cc2c(O)ccc(F)c2F)C1 ZINC001233332763 978568219 /nfs/dbraw/zinc/56/82/19/978568219.db2.gz WSRQUYQBYLHAPV-UHFFFAOYSA-N 1 1 241.281 2.901 20 10 BFCDMO CC1CC([N@@H+](C)Cc2c(O)ccc(F)c2F)C1 ZINC001233332763 978568224 /nfs/dbraw/zinc/56/82/24/978568224.db2.gz WSRQUYQBYLHAPV-UHFFFAOYSA-N 1 1 241.281 2.901 20 10 BFCDMO CCc1ccc(C[N@@H+]2CCC(=O)C[C@@H]2C)c(O)c1 ZINC001236782901 979725722 /nfs/dbraw/zinc/72/57/22/979725722.db2.gz GPYVTKDYRREVMO-NSHDSACASA-N 1 1 247.338 2.508 20 10 BFCDMO CCc1ccc(C[N@H+]2CCC(=O)C[C@@H]2C)c(O)c1 ZINC001236782901 979725730 /nfs/dbraw/zinc/72/57/30/979725730.db2.gz GPYVTKDYRREVMO-NSHDSACASA-N 1 1 247.338 2.508 20 10 BFCDMO CCc1ccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c(O)c1 ZINC001236783085 979726449 /nfs/dbraw/zinc/72/64/49/979726449.db2.gz HVNSFOVYJPPFJJ-MFKMUULPSA-N 1 1 237.318 2.744 20 10 BFCDMO CCc1ccc(C[N@H+]2CC[C@@H](C)C2)c(O)c1 ZINC001236783590 979734902 /nfs/dbraw/zinc/73/49/02/979734902.db2.gz MPHRMDDRRQWNBN-LLVKDONJSA-N 1 1 219.328 2.796 20 10 BFCDMO COc1cc(O)c(C[N@@H+](C)C2CC2)c(Cl)c1 ZINC001236799631 979740768 /nfs/dbraw/zinc/74/07/68/979740768.db2.gz TYKQTRJRXXNFSW-UHFFFAOYSA-N 1 1 241.718 2.648 20 10 BFCDMO CC(C)c1ccc(C[N@@H+](C)CC2COC2)c(O)c1 ZINC001237049975 979811315 /nfs/dbraw/zinc/81/13/15/979811315.db2.gz VESMWRSKFCGQRV-UHFFFAOYSA-N 1 1 249.354 2.594 20 10 BFCDMO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCOC2)c(O)c1 ZINC001237049738 979811546 /nfs/dbraw/zinc/81/15/46/979811546.db2.gz SGGNBPXMACDFRL-AWEZNQCLSA-N 1 1 249.354 2.736 20 10 BFCDMO Cc1cccc(O)c1C[N@H+]1CC[C@](C)(CF)C1 ZINC001237484821 979910181 /nfs/dbraw/zinc/91/01/81/979910181.db2.gz ICSAKLQDUPFCAY-CQSZACIVSA-N 1 1 237.318 2.882 20 10 BFCDMO Cc1cccc(O)c1C[N@H+]1CCCC(=O)[C@H](C)C1 ZINC001237481188 979911566 /nfs/dbraw/zinc/91/15/66/979911566.db2.gz DJOMLDWCDACKME-GFCCVEGCSA-N 1 1 247.338 2.502 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+]1C[C@H](F)C[C@H]1C ZINC001237483923 979912244 /nfs/dbraw/zinc/91/22/44/979912244.db2.gz VWSMTSFHKZNACP-GHMZBOCLSA-N 1 1 223.291 2.633 20 10 BFCDMO C[C@@H]1CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001237617616 979975745 /nfs/dbraw/zinc/97/57/45/979975745.db2.gz TYULISVFBYXJOK-SSDOTTSWSA-N 1 1 229.682 2.779 20 10 BFCDMO C[C@@H]1CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC001237617616 979975748 /nfs/dbraw/zinc/97/57/48/979975748.db2.gz TYULISVFBYXJOK-SSDOTTSWSA-N 1 1 229.682 2.779 20 10 BFCDMO Cc1cc(F)cc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c1O ZINC001238068714 980136977 /nfs/dbraw/zinc/13/69/77/980136977.db2.gz VXKFYPWZSOPQLV-MFKMUULPSA-N 1 1 235.302 2.824 20 10 BFCDMO CC[C@H](N)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001345482026 980617868 /nfs/dbraw/zinc/61/78/68/980617868.db2.gz KFTCPBAWJXGMAJ-GRYCIOLGSA-N 1 1 248.370 2.576 20 10 BFCDMO Cc1ncccc1-c1[nH+]ccc2c1ccn2C ZINC001240718608 981741521 /nfs/dbraw/zinc/74/15/21/981741521.db2.gz CYNYANPBXYCSTB-UHFFFAOYSA-N 1 1 223.279 2.944 20 10 BFCDMO Oc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1O ZINC001203882726 982588113 /nfs/dbraw/zinc/58/81/13/982588113.db2.gz SRTYAYMNXRFDNX-CHWSQXEVSA-N 1 1 247.338 2.862 20 10 BFCDMO Cc1cc(N(C)C)ccc1C1=CCC[N@@H+](C)C1 ZINC001241570269 982821052 /nfs/dbraw/zinc/82/10/52/982821052.db2.gz GCJPCWDVRLYEQB-UHFFFAOYSA-N 1 1 230.355 2.780 20 10 BFCDMO CC[C@@H](C)[N@H+]1CCc2cccc(O)c2C1 ZINC001257442412 985019667 /nfs/dbraw/zinc/01/96/67/985019667.db2.gz BSTVVFBDZYHEEM-SNVBAGLBSA-N 1 1 205.301 2.549 20 10 BFCDMO Oc1cc2c(cc1O)C[N@@H+](CC1CCC1)CCC2 ZINC001202775850 985085185 /nfs/dbraw/zinc/08/51/85/985085185.db2.gz KQLJOWLNBRNGQQ-UHFFFAOYSA-N 1 1 247.338 2.646 20 10 BFCDMO Cc1coc(C[NH2+]Cc2c(O)cccc2F)c1 ZINC001462587156 986442099 /nfs/dbraw/zinc/44/20/99/986442099.db2.gz FUSFAQGKHQQCJE-UHFFFAOYSA-N 1 1 235.258 2.723 20 10 BFCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C)[C@H]1C ZINC001474550678 987756416 /nfs/dbraw/zinc/75/64/16/987756416.db2.gz RLIATMMLJNADEQ-CHWSQXEVSA-N 1 1 232.371 2.901 20 10 BFCDMO C=C/C=C/CC[NH2+]Cc1cc(F)c(F)cc1O ZINC001474689723 987800436 /nfs/dbraw/zinc/80/04/36/987800436.db2.gz ZNVXDVFZCXGYST-ONEGZZNKSA-N 1 1 239.265 2.892 20 10 BFCDMO COc1cc(C)c(C[N@@H+](C)CCCF)c(O)c1 ZINC001474714168 987808341 /nfs/dbraw/zinc/80/83/41/987808341.db2.gz QHHXCDXRGZGRNT-UHFFFAOYSA-N 1 1 241.306 2.501 20 10 BFCDMO C[C@@H]1CCC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137831564 990853961 /nfs/dbraw/zinc/85/39/61/990853961.db2.gz FGOJIFWSMJHVHA-SNVBAGLBSA-N 1 1 223.291 2.763 20 10 BFCDMO C[C@@H]1CCC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137831564 990853962 /nfs/dbraw/zinc/85/39/62/990853962.db2.gz FGOJIFWSMJHVHA-SNVBAGLBSA-N 1 1 223.291 2.763 20 10 BFCDMO Oc1cccc(F)c1C[NH+]1CCC(F)(F)CC1 ZINC001137831850 990855223 /nfs/dbraw/zinc/85/52/23/990855223.db2.gz PTENUPOYZQVBOY-UHFFFAOYSA-N 1 1 245.244 2.762 20 10 BFCDMO CC[C@H]1CCC[N@@H+]1Cc1c(O)cccc1F ZINC001137837659 990858229 /nfs/dbraw/zinc/85/82/29/990858229.db2.gz QASZLIYRGDHWLK-JTQLQIEISA-N 1 1 223.291 2.906 20 10 BFCDMO CC[C@H]1CCC[N@H+]1Cc1c(O)cccc1F ZINC001137837659 990858233 /nfs/dbraw/zinc/85/82/33/990858233.db2.gz QASZLIYRGDHWLK-JTQLQIEISA-N 1 1 223.291 2.906 20 10 BFCDMO [O-]c1cccc(F)c1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001137838976 990859256 /nfs/dbraw/zinc/85/92/56/990859256.db2.gz MTXLCXJVLOVGKU-VHSXEESVSA-N 1 1 221.275 2.516 20 10 BFCDMO Oc1cccc(F)c1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001137838976 990859261 /nfs/dbraw/zinc/85/92/61/990859261.db2.gz MTXLCXJVLOVGKU-VHSXEESVSA-N 1 1 221.275 2.516 20 10 BFCDMO Oc1cccc(F)c1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001137838976 990859262 /nfs/dbraw/zinc/85/92/62/990859262.db2.gz MTXLCXJVLOVGKU-VHSXEESVSA-N 1 1 221.275 2.516 20 10 BFCDMO C[N@@H+](Cc1cccc(F)c1O)CC1CCC1 ZINC001138127930 990886705 /nfs/dbraw/zinc/88/67/05/990886705.db2.gz WRZBOTISPRMHBQ-UHFFFAOYSA-N 1 1 223.291 2.763 20 10 BFCDMO C[N@H+](Cc1cccc(F)c1O)CC1CCC1 ZINC001138127930 990886706 /nfs/dbraw/zinc/88/67/06/990886706.db2.gz WRZBOTISPRMHBQ-UHFFFAOYSA-N 1 1 223.291 2.763 20 10 BFCDMO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001308789465 991138117 /nfs/dbraw/zinc/13/81/17/991138117.db2.gz BLKWPQXZKRPZGB-JGVFFNPUSA-N 1 1 227.254 2.511 20 10 BFCDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(F)c(F)cc1O ZINC001308789465 991138125 /nfs/dbraw/zinc/13/81/25/991138125.db2.gz BLKWPQXZKRPZGB-JGVFFNPUSA-N 1 1 227.254 2.511 20 10 BFCDMO C[C@]1(CF)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001140057593 991508378 /nfs/dbraw/zinc/50/83/78/991508378.db2.gz HIAGCEOHFBDUIJ-CYBMUJFWSA-N 1 1 241.281 2.713 20 10 BFCDMO CC[C@H]1COCC[N@H+]1Cc1c(C)ccc(C)c1O ZINC001140182182 991557428 /nfs/dbraw/zinc/55/74/28/991557428.db2.gz JSNRDFBHDNULJT-ZDUSSCGKSA-N 1 1 249.354 2.620 20 10 BFCDMO CC(=O)[C@@H]1CCC[N@H+]1Cc1c(C)ccc(C)c1O ZINC001140185493 991559051 /nfs/dbraw/zinc/55/90/51/991559051.db2.gz XHJYJRGULOMNGJ-AWEZNQCLSA-N 1 1 247.338 2.562 20 10 BFCDMO C[N@@H+](Cc1ccc(Cl)cc1O)C1CC1 ZINC001140461867 991644457 /nfs/dbraw/zinc/64/44/57/991644457.db2.gz WLCFXBAQNLENMV-UHFFFAOYSA-N 1 1 211.692 2.640 20 10 BFCDMO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](F)C1 ZINC001140465198 991643079 /nfs/dbraw/zinc/64/30/79/991643079.db2.gz HWJPOVCUOSDKIU-NSHDSACASA-N 1 1 243.709 2.980 20 10 BFCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@H](F)C1 ZINC001140465198 991643083 /nfs/dbraw/zinc/64/30/83/991643083.db2.gz HWJPOVCUOSDKIU-NSHDSACASA-N 1 1 243.709 2.980 20 10 BFCDMO CC1CC(C[NH2+]Cc2cc(F)c(F)cc2O)C1 ZINC001560944479 991662701 /nfs/dbraw/zinc/66/27/01/991662701.db2.gz PLHLXEDHDZGLMN-UHFFFAOYSA-N 1 1 241.281 2.806 20 10 BFCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](CF)C2)cc1C ZINC001262051907 992635717 /nfs/dbraw/zinc/63/57/17/992635717.db2.gz DOWDSBKZWCUJTO-LBPRGKRZSA-N 1 1 237.318 2.800 20 10 BFCDMO CC1(C)C[N@@H+](Cc2ccc(N)cc2)C(C)(C)CO1 ZINC001576457799 993313204 /nfs/dbraw/zinc/31/32/04/993313204.db2.gz OIHZOJAFBSEWFA-UHFFFAOYSA-N 1 1 248.370 2.658 20 10 BFCDMO C[C@H]([N@@H+](C)Cc1ccc(N)cc1)C1(C)CC1 ZINC000385381464 993660578 /nfs/dbraw/zinc/66/05/78/993660578.db2.gz WYZHQVVVSXMBSE-NSHDSACASA-N 1 1 218.344 2.889 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c1 ZINC000133103121 398341301 /nfs/dbraw/zinc/34/13/01/398341301.db2.gz CSFMQRDBRIBUCH-GFCCVEGCSA-N 1 1 249.354 2.700 20 10 BFCDMO Cc1cccc(C[N@@H+]2CCSC[C@@H]2C)c1O ZINC000180246352 179079208 /nfs/dbraw/zinc/07/92/08/179079208.db2.gz JGONIZFDWHGBIU-NSHDSACASA-N 1 1 237.368 2.638 20 10 BFCDMO Cc1cccc(C[N@@H+]2CCC=C(F)C2)c1O ZINC000272529326 179075152 /nfs/dbraw/zinc/07/51/52/179075152.db2.gz AJTYOEJRZZAIOB-UHFFFAOYSA-N 1 1 221.275 2.760 20 10 BFCDMO Cc1cccc(C[N@H+]2CCC=C(F)C2)c1O ZINC000272529326 179075155 /nfs/dbraw/zinc/07/51/55/179075155.db2.gz AJTYOEJRZZAIOB-UHFFFAOYSA-N 1 1 221.275 2.760 20 10 BFCDMO Cc1cccc(C[N@H+]2CC[C@H](C3CC3)C2)c1O ZINC000376830569 179082787 /nfs/dbraw/zinc/08/27/87/179082787.db2.gz DSCVMYZXHKNMRX-ZDUSSCGKSA-N 1 1 231.339 2.933 20 10 BFCDMO Cc1cccc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)c1O ZINC000124570985 179084202 /nfs/dbraw/zinc/08/42/02/179084202.db2.gz OVMBQOGDYNSHDA-LBPRGKRZSA-N 1 1 249.354 2.700 20 10 BFCDMO CC(C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000102675098 191065439 /nfs/dbraw/zinc/06/54/39/191065439.db2.gz AUCDYFINAQXXIG-UHFFFAOYSA-N 1 1 206.333 2.593 20 10 BFCDMO CC(C)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000158714860 187813530 /nfs/dbraw/zinc/81/35/30/187813530.db2.gz AZEXQPSRGLPBBH-UHFFFAOYSA-N 1 1 224.323 2.732 20 10 BFCDMO CC(C)CO[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000179586286 188167682 /nfs/dbraw/zinc/16/76/82/188167682.db2.gz PIEMXAAAKZTRSB-AWEZNQCLSA-N 1 1 249.354 2.639 20 10 BFCDMO CCC[N@@H+](C)Cc1c(O)cccc1Cl ZINC000132579702 169082029 /nfs/dbraw/zinc/08/20/29/169082029.db2.gz QJMHBDHMHWEFRO-UHFFFAOYSA-N 1 1 213.708 2.887 20 10 BFCDMO CCC[N@@H+](CCCOC)Cc1ccccc1O ZINC000075829146 169156482 /nfs/dbraw/zinc/15/64/82/169156482.db2.gz BODAQOCNUAKNNO-UHFFFAOYSA-N 1 1 237.343 2.641 20 10 BFCDMO Oc1ccccc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000378494362 183301490 /nfs/dbraw/zinc/30/14/90/183301490.db2.gz LBLGMPNACMTZSX-ZDUSSCGKSA-N 1 1 217.312 2.767 20 10 BFCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](C)OC ZINC000182203376 169178339 /nfs/dbraw/zinc/17/83/39/169178339.db2.gz XYXDDZHPOAFECC-GFCCVEGCSA-N 1 1 237.343 2.639 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000132659501 384199061 /nfs/dbraw/zinc/19/90/61/384199061.db2.gz DCINZVYNCULKNQ-LLVKDONJSA-N 1 1 205.301 2.542 20 10 BFCDMO CCOc1cccc(C[N@@H+](C)C(C)C)c1O ZINC000132488809 384234165 /nfs/dbraw/zinc/23/41/65/384234165.db2.gz FBTOTEAOJZFFRE-UHFFFAOYSA-N 1 1 223.316 2.631 20 10 BFCDMO CCOc1cccc(C[N@H+]2CC[C@@H](C)C2)c1O ZINC000132484432 384234190 /nfs/dbraw/zinc/23/41/90/384234190.db2.gz CDDMZWKNOXWZIY-LLVKDONJSA-N 1 1 235.327 2.633 20 10 BFCDMO CC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062744700 385182809 /nfs/dbraw/zinc/18/28/09/385182809.db2.gz MJHYWTMBOQTVOU-RKDXNWHRSA-N 1 1 211.280 2.980 20 10 BFCDMO C[C@@H]([NH2+]CC1CC1)c1ccc(F)cc1O ZINC000062744711 385184098 /nfs/dbraw/zinc/18/40/98/385184098.db2.gz UTYUOFYBNSHMPW-MRVPVSSYSA-N 1 1 209.264 2.592 20 10 BFCDMO C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc(F)cc1O ZINC000062748379 385187945 /nfs/dbraw/zinc/18/79/45/385187945.db2.gz BRQXJAGINUKWJN-QPUJVOFHSA-N 1 1 223.291 2.980 20 10 BFCDMO C[N@@H+](CCc1nccs1)Cc1ccccc1O ZINC000179584059 385475796 /nfs/dbraw/zinc/47/57/96/385475796.db2.gz IDCRSHWXFUQHFW-UHFFFAOYSA-N 1 1 248.351 2.523 20 10 BFCDMO C[N@@H+](CCC1CCOCC1)Cc1ccccc1O ZINC000179578450 385475812 /nfs/dbraw/zinc/47/58/12/385475812.db2.gz XRFJCZCQHOAADT-UHFFFAOYSA-N 1 1 249.354 2.641 20 10 BFCDMO Cc1cc(C[N@@H+](C)Cc2cccc(C)c2O)no1 ZINC000179734747 385488594 /nfs/dbraw/zinc/48/85/94/385488594.db2.gz VFVZMWAEPYOFAS-UHFFFAOYSA-N 1 1 246.310 2.629 20 10 BFCDMO Cc1cc(C[N@H+](C)Cc2cccc(C)c2O)no1 ZINC000179734747 385488599 /nfs/dbraw/zinc/48/85/99/385488599.db2.gz VFVZMWAEPYOFAS-UHFFFAOYSA-N 1 1 246.310 2.629 20 10 BFCDMO CC[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180266597 385517945 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/nfs/dbraw/zinc/11/43/71/386114371.db2.gz YMMMVSVMFDLVQW-UHFFFAOYSA-N 1 1 235.302 2.907 20 10 BFCDMO Oc1c(F)cccc1C[N@@H+]1CCCC2(CC2)C1 ZINC000274521571 386114378 /nfs/dbraw/zinc/11/43/78/386114378.db2.gz YMMMVSVMFDLVQW-UHFFFAOYSA-N 1 1 235.302 2.907 20 10 BFCDMO Oc1c(F)cccc1C[N@H+]1CCCC2(CC2)C1 ZINC000274521571 386114385 /nfs/dbraw/zinc/11/43/85/386114385.db2.gz YMMMVSVMFDLVQW-UHFFFAOYSA-N 1 1 235.302 2.907 20 10 BFCDMO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000290091847 386393092 /nfs/dbraw/zinc/39/30/92/386393092.db2.gz HKSKMFPCBDZPLZ-BBBLOLIVSA-N 1 1 241.306 2.605 20 10 BFCDMO C[N@H+](Cc1ccccc1O)CC1CCC(=O)CC1 ZINC000290121495 386396364 /nfs/dbraw/zinc/39/63/64/386396364.db2.gz UFROYYYRBBARSO-UHFFFAOYSA-N 1 1 247.338 2.583 20 10 BFCDMO CC[C@H](CSC)[N@@H+](C)Cc1ccccc1O ZINC000290425104 386433794 /nfs/dbraw/zinc/43/37/94/386433794.db2.gz KYPVUBGUVARFET-GFCCVEGCSA-N 1 1 239.384 2.966 20 10 BFCDMO CC[C@H]1CC[N@H+]1Cc1cccc(C)c1O ZINC000292767283 386722132 /nfs/dbraw/zinc/72/21/32/386722132.db2.gz JZXDEIUMPBALCQ-LBPRGKRZSA-N 1 1 205.301 2.685 20 10 BFCDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000280471667 386816663 /nfs/dbraw/zinc/81/66/63/386816663.db2.gz NDSXSPWFSUUMSE-TZMCWYRMSA-N 1 1 249.354 2.518 20 10 BFCDMO C[C@@H](CF)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293830651 386886387 /nfs/dbraw/zinc/88/63/87/386886387.db2.gz GLWMXCQFSRGJEZ-LURJTMIESA-N 1 1 235.661 2.632 20 10 BFCDMO CO[C@@H]1CCC[N@@H+](Cc2cccc(C)c2O)CC1 ZINC000371684390 387239346 /nfs/dbraw/zinc/23/93/46/387239346.db2.gz DJGCSANRRQZUNH-CQSZACIVSA-N 1 1 249.354 2.702 20 10 BFCDMO COC[C@@]1(C)CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000294170984 388395680 /nfs/dbraw/zinc/39/56/80/388395680.db2.gz JFXAUBCGEJMCAU-HNNXBMFYSA-N 1 1 249.354 2.559 20 10 BFCDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000132618020 167368543 /nfs/dbraw/zinc/36/85/43/167368543.db2.gz HSSJGPGZZGWHQW-LLVKDONJSA-N 1 1 207.317 2.869 20 10 BFCDMO CC1(C)[C@@H]2C[N@@H+](Cc3cccc(F)c3O)C[C@@H]21 ZINC000272323302 168013250 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/nfs/dbraw/zinc/25/69/06/175256906.db2.gz FKJZSVAZKLGVGP-UHFFFAOYSA-N 1 1 235.327 2.633 20 10 BFCDMO COc1cccc(C[N@H+]2CC[C@H](C3CC3)C2)c1O ZINC000378345853 175260587 /nfs/dbraw/zinc/26/05/87/175260587.db2.gz BHHGOIZWOGHKEX-LBPRGKRZSA-N 1 1 247.338 2.633 20 10 BFCDMO C[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000062183904 177102739 /nfs/dbraw/zinc/10/27/39/177102739.db2.gz CCVRFMYNNAZIOO-NSHDSACASA-N 1 1 205.301 2.624 20 10 BFCDMO COc1cc(C)cc(C[N@@H+]2[C@H](C)C[C@@H]2C)c1O ZINC000894600151 583490592 /nfs/dbraw/zinc/49/05/92/583490592.db2.gz FMCQTAVEHKERRR-PHIMTYICSA-N 1 1 235.327 2.692 20 10 BFCDMO CCc1cccc(C[N@H+]2C[C@H](C)[C@@H]2C)c1O ZINC000894862204 583535495 /nfs/dbraw/zinc/53/54/95/583535495.db2.gz UAYFZEGFMLSFSF-QWRGUYRKSA-N 1 1 219.328 2.795 20 10 BFCDMO COc1cc(C)cc(C[N@H+]2CC[C@H]2C2CC2)c1O ZINC000894880018 583543543 /nfs/dbraw/zinc/54/35/43/583543543.db2.gz AJPLBRXTTDEZLF-ZDUSSCGKSA-N 1 1 247.338 2.694 20 10 BFCDMO Oc1cccc(F)c1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000896637189 583819043 /nfs/dbraw/zinc/81/90/43/583819043.db2.gz IQUNALIUOFEKJM-NRUUGDAUSA-N 1 1 235.302 2.810 20 10 BFCDMO C[C@H](CC1CC1)[NH2+]Cc1c(O)cccc1F ZINC000896638943 583820048 /nfs/dbraw/zinc/82/00/48/583820048.db2.gz ZPFZPEBHNKHRSX-SECBINFHSA-N 1 1 223.291 2.810 20 10 BFCDMO CS[C@@H]1CC[C@@H]1[NH2+]Cc1c(O)cccc1F ZINC000896639820 583820391 /nfs/dbraw/zinc/82/03/91/583820391.db2.gz YBKVNTFGAYNOTF-CMPLNLGQSA-N 1 1 241.331 2.515 20 10 BFCDMO CS[C@H]1CC[C@H]1[NH2+]Cc1c(O)cccc1F ZINC000896639822 583820434 /nfs/dbraw/zinc/82/04/34/583820434.db2.gz YBKVNTFGAYNOTF-PWSUYJOCSA-N 1 1 241.331 2.515 20 10 BFCDMO CCC[N@@H+](Cc1ccccc1O)CC1(C)COC1 ZINC000743869828 585141534 /nfs/dbraw/zinc/14/15/34/585141534.db2.gz BSKZWUBFNSIDSC-UHFFFAOYSA-N 1 1 249.354 2.641 20 10 BFCDMO COc1cc(C)cc(C[N@H+]2C[C@H](C)C[C@H]2C)c1O ZINC000754742251 585290102 /nfs/dbraw/zinc/29/01/02/585290102.db2.gz UPJDCEANDMCZTJ-VXGBXAGGSA-N 1 1 249.354 2.940 20 10 BFCDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccoc1 ZINC000769004126 585547540 /nfs/dbraw/zinc/54/75/40/585547540.db2.gz JUXYWRSDLOGUSU-UHFFFAOYSA-N 1 1 247.294 2.626 20 10 BFCDMO COc1cccc(O)c1C[N@H+]1CCC(C)(C)C1 ZINC000769399784 585555189 /nfs/dbraw/zinc/55/51/89/585555189.db2.gz UPAZLJUGLPFQNN-UHFFFAOYSA-N 1 1 235.327 2.633 20 10 BFCDMO COc1cccc(O)c1C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000769471486 585557957 /nfs/dbraw/zinc/55/79/57/585557957.db2.gz UMEHNHNGVYVIRA-MNOVXSKESA-N 1 1 235.327 2.631 20 10 BFCDMO CN(C)c1ccc(C[N@@H+](CCF)C2CC2)cc1 ZINC000771790800 585600222 /nfs/dbraw/zinc/60/02/22/585600222.db2.gz GYXQZQOVDXKZRN-UHFFFAOYSA-N 1 1 236.334 2.687 20 10 BFCDMO Cc1cccc(C[N@@H+]2CC[C@H]2C(C)C)c1O ZINC000775763422 585684115 /nfs/dbraw/zinc/68/41/15/585684115.db2.gz GCJNKTPXHRGGQU-ZDUSSCGKSA-N 1 1 219.328 2.931 20 10 BFCDMO C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccccc2O)CCO1 ZINC000778999210 585743878 /nfs/dbraw/zinc/74/38/78/585743878.db2.gz AWNHICMLUZOKQE-CHWSQXEVSA-N 1 1 249.354 2.639 20 10 BFCDMO CC[N@@H+](Cc1cc(F)ccc1O)C1CCC1 ZINC000779018111 585744086 /nfs/dbraw/zinc/74/40/86/585744086.db2.gz DIWQJEHDQXFKDI-UHFFFAOYSA-N 1 1 223.291 2.906 20 10 BFCDMO CC(C)[C@@H]1CC[N@H+]1Cc1cc(F)ccc1O ZINC000779044614 585744550 /nfs/dbraw/zinc/74/45/50/585744550.db2.gz ALTRTBFKFRMMSQ-LBPRGKRZSA-N 1 1 223.291 2.762 20 10 BFCDMO Cc1cccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)c1O ZINC000779149046 585745964 /nfs/dbraw/zinc/74/59/64/585745964.db2.gz KEKORHHRUQCVIA-GXFFZTMASA-N 1 1 237.318 2.881 20 10 BFCDMO C[N@@H+](Cc1ccc(O)cc1)Cc1ccccc1O ZINC000779434355 585754893 /nfs/dbraw/zinc/75/48/93/585754893.db2.gz RMBFKFYPLOYUOJ-UHFFFAOYSA-N 1 1 243.306 2.730 20 10 BFCDMO C[C@H]1C[C@H]1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000788444052 585923857 /nfs/dbraw/zinc/92/38/57/585923857.db2.gz WYIJUKMXRLRBEW-JSGCOSHPSA-N 1 1 232.371 2.840 20 10 BFCDMO COc1ccc(O)c(C[N@@H+]2CC(C)=C[C@@H](C)C2)c1 ZINC000797605042 586129462 /nfs/dbraw/zinc/12/94/62/586129462.db2.gz LJEXRALMQUURIF-LLVKDONJSA-N 1 1 247.338 2.799 20 10 BFCDMO C[C@H](O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000799122262 586159295 /nfs/dbraw/zinc/15/92/95/586159295.db2.gz YWDZPADAHCQPFG-LBPRGKRZSA-N 1 1 249.354 2.518 20 10 BFCDMO CCCC[N@@H+](CCF)Cc1ccccc1O ZINC000801597095 586266024 /nfs/dbraw/zinc/26/60/24/586266024.db2.gz ASKKHMYAPLGTAV-UHFFFAOYSA-N 1 1 225.307 2.964 20 10 BFCDMO CCOc1ccc(C[NH2+]CC(C)(F)F)c(O)c1 ZINC000815146689 586670428 /nfs/dbraw/zinc/67/04/28/586670428.db2.gz HQVJTBHGEZJRCD-UHFFFAOYSA-N 1 1 245.269 2.536 20 10 BFCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)[C@@H]2C)cc1C ZINC000816647585 586747689 /nfs/dbraw/zinc/74/76/89/586747689.db2.gz VGXBTDRJADXIDR-RYUDHWBXSA-N 1 1 219.328 2.849 20 10 BFCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@@H]2C)c1 ZINC000816647310 586748547 /nfs/dbraw/zinc/74/85/47/586748547.db2.gz QPNRZCBJTOJPEN-MNOVXSKESA-N 1 1 235.327 2.631 20 10 BFCDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)[C@H]1C ZINC000816647070 586748944 /nfs/dbraw/zinc/74/89/44/586748944.db2.gz NDMKCHJIBPVLNC-BDAKNGLRSA-N 1 1 225.719 2.886 20 10 BFCDMO C[N@@H+](Cc1cccc(N)c1)Cc1ccccc1O ZINC000821391956 587116254 /nfs/dbraw/zinc/11/62/54/587116254.db2.gz UOHUQLGKWPKASC-UHFFFAOYSA-N 1 1 242.322 2.606 20 10 BFCDMO CC[C@H]([NH2+]Cc1ccccc1O)C(F)F ZINC000824509729 587272398 /nfs/dbraw/zinc/27/23/98/587272398.db2.gz NIBPRQPPXXSCTD-VIFPVBQESA-N 1 1 215.243 2.526 20 10 BFCDMO CC[C@H]([NH2+]Cc1cc(C)ccc1O)C(F)F ZINC000824510754 587272715 /nfs/dbraw/zinc/27/27/15/587272715.db2.gz ZPRPTWRBBCDNEY-JTQLQIEISA-N 1 1 229.270 2.834 20 10 BFCDMO COC[C@@H]1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000825321324 587314871 /nfs/dbraw/zinc/31/48/71/587314871.db2.gz CDGUUJZUQSJTGB-CYBMUJFWSA-N 1 1 249.354 2.641 20 10 BFCDMO C[N@@H+](CCC[C@H]1CCOC1)Cc1ccccc1O ZINC000828062847 587418583 /nfs/dbraw/zinc/41/85/83/587418583.db2.gz SWUCMUCQIYPUPU-ZDUSSCGKSA-N 1 1 249.354 2.641 20 10 BFCDMO C[N@@H+](CC1=CCCC1)Cc1ccccc1O ZINC000828062555 587418616 /nfs/dbraw/zinc/41/86/16/587418616.db2.gz KHHDSGSTSHXEAQ-UHFFFAOYSA-N 1 1 217.312 2.934 20 10 BFCDMO CC(C)CC(=O)CC[N@@H+](C)Cc1ccccc1O ZINC000828062184 587418624 /nfs/dbraw/zinc/41/86/24/587418624.db2.gz DPAIEQPVUSPVNZ-UHFFFAOYSA-N 1 1 249.354 2.829 20 10 BFCDMO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](F)C2)cc1 ZINC000835055045 587779659 /nfs/dbraw/zinc/77/96/59/587779659.db2.gz PEPUKTALXKLCBM-VQTKUKTRSA-N 1 1 248.345 2.810 20 10 BFCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H](F)C2)cc1 ZINC000835055045 587779660 /nfs/dbraw/zinc/77/96/60/587779660.db2.gz PEPUKTALXKLCBM-VQTKUKTRSA-N 1 1 248.345 2.810 20 10 BFCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](F)C2)c(Cl)c1 ZINC000840950176 587931844 /nfs/dbraw/zinc/93/18/44/587931844.db2.gz FTNWSWNKWQCSAF-SECBINFHSA-N 1 1 243.709 2.898 20 10 BFCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](F)C2)c(Cl)c1 ZINC000840950176 587931845 /nfs/dbraw/zinc/93/18/45/587931845.db2.gz FTNWSWNKWQCSAF-SECBINFHSA-N 1 1 243.709 2.898 20 10 BFCDMO CC[N@@H+](CCSC)Cc1cccc(C)c1O ZINC000843437350 588110325 /nfs/dbraw/zinc/11/03/25/588110325.db2.gz DEUWXQGFHMSVGB-UHFFFAOYSA-N 1 1 239.384 2.886 20 10 BFCDMO Cc1ccc(O)c(Cn2c[nH+]c3c2CCCC3)c1 ZINC000862431898 589212187 /nfs/dbraw/zinc/21/21/87/589212187.db2.gz VFVVZHQUNNKMBN-UHFFFAOYSA-N 1 1 242.322 2.824 20 10 BFCDMO CCCC[N@@H+](C)Cc1c(C)cccc1O ZINC000876525543 590208300 /nfs/dbraw/zinc/20/83/00/590208300.db2.gz GOXALZPXJIQJSM-UHFFFAOYSA-N 1 1 207.317 2.933 20 10 BFCDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1c(C)cccc1O ZINC000876536150 590211399 /nfs/dbraw/zinc/21/13/99/590211399.db2.gz NYZMUJHJZHEBTK-CHWSQXEVSA-N 1 1 249.354 2.700 20 10 BFCDMO Cc1cccc(O)c1C[N@H+](C)[C@H]1CCSC1 ZINC000876573604 590217420 /nfs/dbraw/zinc/21/74/20/590217420.db2.gz WOWFIPZGMKUPOT-NSHDSACASA-N 1 1 237.368 2.638 20 10 BFCDMO Cc1ccc(C[N@H+](C)[C@@H]2CCSC2)c(O)c1 ZINC000876573680 590217797 /nfs/dbraw/zinc/21/77/97/590217797.db2.gz YZBKAXSXOLAZFN-GFCCVEGCSA-N 1 1 237.368 2.638 20 10 BFCDMO Cc1cc(C[N@H+](C)Cc2ccccc2O)sn1 ZINC000876615660 590222540 /nfs/dbraw/zinc/22/25/40/590222540.db2.gz KFPPCNORZAHKJY-UHFFFAOYSA-N 1 1 248.351 2.789 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000876634709 590224508 /nfs/dbraw/zinc/22/45/08/590224508.db2.gz ZDUWBEWEOOPURJ-CYBMUJFWSA-N 1 1 249.354 2.702 20 10 BFCDMO CC[N@H+](Cc1c(C)cccc1O)C[C@H]1CCCO1 ZINC000876634090 590224521 /nfs/dbraw/zinc/22/45/21/590224521.db2.gz XYCCFOHUGYJKPN-CYBMUJFWSA-N 1 1 249.354 2.702 20 10 BFCDMO CC[C@H]1C[N@@H+](Cc2ccc(C)cc2O)C[C@@H](C)O1 ZINC000876638635 590225095 /nfs/dbraw/zinc/22/50/95/590225095.db2.gz DHJPULZRIBUQIT-OCCSQVGLSA-N 1 1 249.354 2.700 20 10 BFCDMO Cc1cccc(O)c1C[N@H+]1CCC(C)(C)C1 ZINC000876726397 590232763 /nfs/dbraw/zinc/23/27/63/590232763.db2.gz ZUKAGHHPJPBDKK-UHFFFAOYSA-N 1 1 219.328 2.933 20 10 BFCDMO Cc1ccc(C[N@H+]2C[C@@H](C)C[C@@H]2C)c(O)c1 ZINC000876757064 590238579 /nfs/dbraw/zinc/23/85/79/590238579.db2.gz AXIYSRKYJXFBGT-RYUDHWBXSA-N 1 1 219.328 2.931 20 10 BFCDMO Cc1ccc(C[N@H+]2C[C@H](C)C[C@H]2C)c(O)c1 ZINC000876757065 590238738 /nfs/dbraw/zinc/23/87/38/590238738.db2.gz AXIYSRKYJXFBGT-VXGBXAGGSA-N 1 1 219.328 2.931 20 10 BFCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000876783252 590240238 /nfs/dbraw/zinc/24/02/38/590240238.db2.gz XUJXDEYIZXDDHN-CYBMUJFWSA-N 1 1 231.339 2.933 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+](C)CCOCC1CC1 ZINC000876784270 590240560 /nfs/dbraw/zinc/24/05/60/590240560.db2.gz CPYLTMGHNSOQFH-UHFFFAOYSA-N 1 1 249.354 2.559 20 10 BFCDMO CC[C@H]1CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000876807117 590244777 /nfs/dbraw/zinc/24/47/77/590244777.db2.gz YVGRSSVJFHEHKI-LBPRGKRZSA-N 1 1 219.328 2.933 20 10 BFCDMO Cc1ccc(C[N@H+]2CCO[C@@H](C(C)C)C2)c(O)c1 ZINC000877166153 590294786 /nfs/dbraw/zinc/29/47/86/590294786.db2.gz XHUXKZOXVZLNBY-OAHLLOKOSA-N 1 1 249.354 2.557 20 10 BFCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000877165782 590294828 /nfs/dbraw/zinc/29/48/28/590294828.db2.gz QHJNZLLSYKZUHP-OAHLLOKOSA-N 1 1 249.354 2.557 20 10 BFCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000877165221 590295126 /nfs/dbraw/zinc/29/51/26/590295126.db2.gz KDDWRIMWEQZCAK-DGCLKSJQSA-N 1 1 237.318 2.881 20 10 BFCDMO Cc1cccc(O)c1C[NH2+][C@H]1CCCC1(F)F ZINC000877533991 590349610 /nfs/dbraw/zinc/34/96/10/590349610.db2.gz YVTSIMFMZMXYEG-LBPRGKRZSA-N 1 1 241.281 2.978 20 10 BFCDMO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)C(F)F ZINC000877556188 590357350 /nfs/dbraw/zinc/35/73/50/590357350.db2.gz BGYFLRJKHZKBHD-SNVBAGLBSA-N 1 1 229.270 2.834 20 10 BFCDMO CC[C@H](C)[C@H](C[N@H+]1Cc2cccc(O)c2C1)OC ZINC000877703162 590395393 /nfs/dbraw/zinc/39/53/93/590395393.db2.gz UGIBWTHRTLIYAD-NHYWBVRUSA-N 1 1 249.354 2.769 20 10 BFCDMO Oc1ccccc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877740733 590409955 /nfs/dbraw/zinc/40/99/55/590409955.db2.gz TTWAKGDPYDLCTA-QWHCGFSZSA-N 1 1 249.379 2.577 20 10 BFCDMO C=C/C=C/CC[N@H+](C)Cc1ccccc1O ZINC000878242456 590527873 /nfs/dbraw/zinc/52/78/73/590527873.db2.gz RPTRUOFIGICRGO-SNAWJCMRSA-N 1 1 217.312 2.956 20 10 BFCDMO Cc1cc(O)c(C[NH2+][C@H](C)C(F)F)cc1C ZINC000883406953 591650121 /nfs/dbraw/zinc/65/01/21/591650121.db2.gz GQIVOVMDXAUNEQ-SECBINFHSA-N 1 1 229.270 2.752 20 10 BFCDMO CC[C@H](C)[N@@H+](C)Cc1cccc(OC)c1O ZINC000132519171 591714844 /nfs/dbraw/zinc/71/48/44/591714844.db2.gz KNKIAOPUGSUHNS-JTQLQIEISA-N 1 1 223.316 2.631 20 10 BFCDMO COc1cccc(C[N@@H+](C)CCC(C)C)c1O ZINC000133559848 591825066 /nfs/dbraw/zinc/82/50/66/591825066.db2.gz ISAITROPPNYNTA-UHFFFAOYSA-N 1 1 237.343 2.879 20 10 BFCDMO CC(C)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886487697 592235067 /nfs/dbraw/zinc/23/50/67/592235067.db2.gz PMFGPOYOHCVCAQ-SECBINFHSA-N 1 1 211.280 2.838 20 10 BFCDMO CO[C@H](C)CC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886521167 592244115 /nfs/dbraw/zinc/24/41/15/592244115.db2.gz WDTCXVFWIFGHEA-NXEZZACHSA-N 1 1 241.306 2.607 20 10 BFCDMO COCC[C@H](C)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886520314 592244256 /nfs/dbraw/zinc/24/42/56/592244256.db2.gz BFYWMFUAZQEECG-VHSXEESVSA-N 1 1 241.306 2.607 20 10 BFCDMO CS[C@H](C)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886555400 592259537 /nfs/dbraw/zinc/25/95/37/592259537.db2.gz RJKCBKXDYUJNSP-BDAKNGLRSA-N 1 1 243.347 2.933 20 10 BFCDMO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886612699 592275703 /nfs/dbraw/zinc/27/57/03/592275703.db2.gz RTFGHYPNYJVYKC-OPRDCNLKSA-N 1 1 241.306 2.605 20 10 BFCDMO C[C@H]([NH2+][C@H]1CC12CC2)c1c(O)cccc1F ZINC000886629934 592281135 /nfs/dbraw/zinc/28/11/35/592281135.db2.gz QSLAKNAXCPCESU-KWQFWETISA-N 1 1 221.275 2.734 20 10 BFCDMO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1c(O)cccc1F ZINC000886630108 592282175 /nfs/dbraw/zinc/28/21/75/592282175.db2.gz VCFVNHRSQZMMJP-CHWFTXMASA-N 1 1 235.302 2.980 20 10 BFCDMO CSCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000308966719 631771807 /nfs/dbraw/zinc/77/18/07/631771807.db2.gz WHSKTFYIBFWCJJ-UHFFFAOYSA-N 1 1 249.738 2.637 20 10 BFCDMO C[C@H]1C[C@@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000309777567 633733532 /nfs/dbraw/zinc/73/35/32/633733532.db2.gz MABACQNVGJNQPV-JGVFFNPUSA-N 1 1 243.709 2.930 20 10 BFCDMO C[C@H]1C[C@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000309777569 634006688 /nfs/dbraw/zinc/00/66/88/634006688.db2.gz MABACQNVGJNQPV-YUMQZZPRSA-N 1 1 243.709 2.930 20 10 BFCDMO CC[C@@H]([NH2+]Cc1c(O)cccc1F)C1CC1 ZINC000896644763 636209885 /nfs/dbraw/zinc/20/98/85/636209885.db2.gz YZSSGPHWHSLRJE-GFCCVEGCSA-N 1 1 223.291 2.810 20 10 BFCDMO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C1CC1 ZINC000192562053 636866837 /nfs/dbraw/zinc/86/68/37/636866837.db2.gz MCPRRBUCGYDJMC-UHFFFAOYSA-N 1 1 249.354 2.990 20 10 BFCDMO CCCC[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000163910294 640429454 /nfs/dbraw/zinc/42/94/54/640429454.db2.gz HDUSQAWPUSJDOD-UHFFFAOYSA-N 1 1 237.343 2.941 20 10 BFCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C)[C@H]2C)c1 ZINC000816647312 643555632 /nfs/dbraw/zinc/55/56/32/643555632.db2.gz QPNRZCBJTOJPEN-WDEREUQCSA-N 1 1 235.327 2.631 20 10 BFCDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000091859163 644642937 /nfs/dbraw/zinc/64/29/37/644642937.db2.gz VKWZJRHSZREQLE-QWHCGFSZSA-N 1 1 232.371 2.983 20 10 BFCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)C2(CCC2)CO1 ZINC000846067015 645397404 /nfs/dbraw/zinc/39/74/04/645397404.db2.gz LMIMPUWWNDATGV-GFCCVEGCSA-N 1 1 247.338 2.536 20 10 BFCDMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2O)C1 ZINC000161351617 711811230 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Cc1nc(C[N@H+](C)Cc2ccccc2O)oc1C ZINC000109772065 385191376 /nfs/dbraw/zinc/19/13/76/385191376.db2.gz WDDILDRRAZTLQQ-UHFFFAOYSA-N 1 1 246.310 2.629 20 10 BFCDMO CC/C=C/C[NH2+]Cc1cccc(F)c1O ZINC000294738442 385154949 /nfs/dbraw/zinc/15/49/49/385154949.db2.gz DUGUJSUOLRNZIC-ONEGZZNKSA-N 1 1 209.264 2.587 20 10 BFCDMO C[N@H+](Cc1ccccc1O)CC1CC(F)(F)C1 ZINC000294842032 385250229 /nfs/dbraw/zinc/25/02/29/385250229.db2.gz BIIWGIVAXLCSJM-UHFFFAOYSA-N 1 1 241.281 2.869 20 10 BFCDMO CCC[C@H]1C[N@@H+](Cc2cccc(C)c2O)CCO1 ZINC000180318702 385519101 /nfs/dbraw/zinc/51/91/01/385519101.db2.gz MIQYPEZKCPXMMD-AWEZNQCLSA-N 1 1 249.354 2.702 20 10 BFCDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccccc1O ZINC000290425109 386434322 /nfs/dbraw/zinc/43/43/22/386434322.db2.gz KYPVUBGUVARFET-LBPRGKRZSA-N 1 1 239.384 2.966 20 10 BFCDMO Cc1cccc(C[N@H+](C(C)C)[C@H]2CCOC2)c1O ZINC000291175600 386522170 /nfs/dbraw/zinc/52/21/70/386522170.db2.gz FCDVNAKAWALIBE-AWEZNQCLSA-N 1 1 249.354 2.700 20 10 BFCDMO CC[C@H]1CC[N@H+]1Cc1cc(C)ccc1O ZINC000292797585 386728823 /nfs/dbraw/zinc/72/88/23/386728823.db2.gz NCEHBZAZTBICCY-LBPRGKRZSA-N 1 1 205.301 2.685 20 10 BFCDMO CC[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1O)OC ZINC000290150439 386829960 /nfs/dbraw/zinc/82/99/60/386829960.db2.gz LFKDZSHEJVOJEG-KOLCDFICSA-N 1 1 241.306 2.607 20 10 BFCDMO CC(C)[N@@H+](C)Cc1c(O)cccc1Cl ZINC000132485965 388360742 /nfs/dbraw/zinc/36/07/42/388360742.db2.gz BATSGDNYSBBQFU-UHFFFAOYSA-N 1 1 213.708 2.886 20 10 BFCDMO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)[C@H]1C ZINC000272534279 389032600 /nfs/dbraw/zinc/03/26/00/389032600.db2.gz ZXZOYVNTKIUZEZ-ZJUUUORDSA-N 1 1 223.291 2.762 20 10 BFCDMO C[C@@H]1CC[N@H+](Cc2cccc(F)c2O)[C@H]1C ZINC000272534279 389032596 /nfs/dbraw/zinc/03/25/96/389032596.db2.gz ZXZOYVNTKIUZEZ-ZJUUUORDSA-N 1 1 223.291 2.762 20 10 BFCDMO CC1=CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000281805211 168100081 /nfs/dbraw/zinc/10/00/81/168100081.db2.gz NBQDWKKRPGQEDV-UHFFFAOYSA-N 1 1 221.275 2.683 20 10 BFCDMO CC1=CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000281805211 168100083 /nfs/dbraw/zinc/10/00/83/168100083.db2.gz NBQDWKKRPGQEDV-UHFFFAOYSA-N 1 1 221.275 2.683 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+]2CC=C(C)CC2)c1 ZINC000271213962 168114232 /nfs/dbraw/zinc/11/42/32/168114232.db2.gz ZZWKKHVEUYGTDS-UHFFFAOYSA-N 1 1 217.312 2.853 20 10 BFCDMO CCOc1ccc(O)c(C[N@@H+]2CC=C(C)CC2)c1 ZINC000271157834 411429170 /nfs/dbraw/zinc/42/91/70/411429170.db2.gz CGEBLTPRZDGWJN-UHFFFAOYSA-N 1 1 247.338 2.943 20 10 BFCDMO COCC(C)(C)[N@@H+](C)Cc1cccc(C)c1O ZINC000292689878 174077219 /nfs/dbraw/zinc/07/72/19/174077219.db2.gz BGHYTFTZMUDXGM-UHFFFAOYSA-N 1 1 237.343 2.557 20 10 BFCDMO COCCCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062748337 174201801 /nfs/dbraw/zinc/20/18/01/174201801.db2.gz PFOITGUFFAEGOX-JTQLQIEISA-N 1 1 241.306 2.609 20 10 BFCDMO COc1ccc(C[NH2+]Cc2nccs2)cc1C ZINC000040444088 175108430 /nfs/dbraw/zinc/10/84/30/175108430.db2.gz ZJVNHUPEHLVYHG-UHFFFAOYSA-N 1 1 248.351 2.750 20 10 BFCDMO COc1ccc(C[NH2+]Cc2cc(C)no2)cc1C ZINC000044987171 175108690 /nfs/dbraw/zinc/10/86/90/175108690.db2.gz FMVQVFUDIBBQPD-UHFFFAOYSA-N 1 1 246.310 2.590 20 10 BFCDMO COc1cccc(C[N@H+]2CC[C@@H](C3CC3)C2)c1O ZINC000378345852 175259975 /nfs/dbraw/zinc/25/99/75/175259975.db2.gz BHHGOIZWOGHKEX-GFCCVEGCSA-N 1 1 247.338 2.633 20 10 BFCDMO C[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC000165409394 176074138 /nfs/dbraw/zinc/07/41/38/176074138.db2.gz QMAQVKACOZPRGK-SNVBAGLBSA-N 1 1 223.291 2.906 20 10 BFCDMO C[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC000165409394 176074139 /nfs/dbraw/zinc/07/41/39/176074139.db2.gz QMAQVKACOZPRGK-SNVBAGLBSA-N 1 1 223.291 2.906 20 10 BFCDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccccc1O ZINC000171937711 177050356 /nfs/dbraw/zinc/05/03/56/177050356.db2.gz OPRLWTFCBFSBGE-GFCCVEGCSA-N 1 1 242.322 2.980 20 10 BFCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)CCC1(F)F ZINC000291438539 177266651 /nfs/dbraw/zinc/26/66/51/177266651.db2.gz BQQWIGUBXUJXMG-JTQLQIEISA-N 1 1 241.281 2.869 20 10 BFCDMO Cc1cnccc1C[N@H+](C)Cc1ccccc1O ZINC000294701951 487778497 /nfs/dbraw/zinc/77/84/97/487778497.db2.gz FCUGVVRFNQYENQ-UHFFFAOYSA-N 1 1 242.322 2.728 20 10 BFCDMO Oc1c(F)cccc1C[NH2+]CC1CC=CC1 ZINC000529643286 324370641 /nfs/dbraw/zinc/37/06/41/324370641.db2.gz YQMYXTAZMOXUPH-UHFFFAOYSA-N 1 1 221.275 2.587 20 10 BFCDMO CS[C@@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000295059397 566388618 /nfs/dbraw/zinc/38/86/18/566388618.db2.gz OCXMSGHPEHACKG-GFCCVEGCSA-N 1 1 237.368 2.638 20 10 BFCDMO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2O)[C@@H]1C ZINC000894862457 583536748 /nfs/dbraw/zinc/53/67/48/583536748.db2.gz YUIKOGASBYUDDJ-HTQZYQBOSA-N 1 1 227.254 2.511 20 10 BFCDMO C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)[C@@H]1C ZINC000894862457 583536750 /nfs/dbraw/zinc/53/67/50/583536750.db2.gz YUIKOGASBYUDDJ-HTQZYQBOSA-N 1 1 227.254 2.511 20 10 BFCDMO Cc1ccc(C[N@H+]2CCC[C@@H](CF)C2)c(O)c1 ZINC000895543914 583689573 /nfs/dbraw/zinc/68/95/73/583689573.db2.gz GTGDQCDGYWJJGP-LBPRGKRZSA-N 1 1 237.318 2.882 20 10 BFCDMO CCOc1ccc(O)c(C[N@@H+](C)CCCF)c1 ZINC000895897524 583741173 /nfs/dbraw/zinc/74/11/73/583741173.db2.gz AFWIARWVBAGUQR-UHFFFAOYSA-N 1 1 241.306 2.582 20 10 BFCDMO C[N@H+](CCCF)Cc1c(O)ccc(Cl)c1F ZINC000895895689 583743845 /nfs/dbraw/zinc/74/38/45/583743845.db2.gz CKLPSVVZHKQRBY-UHFFFAOYSA-N 1 1 249.688 2.976 20 10 BFCDMO C[N@@H+](CCCF)Cc1c(O)ccc(Cl)c1F ZINC000895895689 583743846 /nfs/dbraw/zinc/74/38/46/583743846.db2.gz CKLPSVVZHKQRBY-UHFFFAOYSA-N 1 1 249.688 2.976 20 10 BFCDMO CC[C@H]1CC[C@@H]1[NH2+]Cc1c(O)cccc1F ZINC000896636316 583819107 /nfs/dbraw/zinc/81/91/07/583819107.db2.gz AYLDWIMQESFWLJ-CABZTGNLSA-N 1 1 223.291 2.810 20 10 BFCDMO Oc1cccc(F)c1C[NH2+]C1CC2(CCC2)C1 ZINC000896639007 583819860 /nfs/dbraw/zinc/81/98/60/583819860.db2.gz SRPGSVVVIRJUMK-UHFFFAOYSA-N 1 1 235.302 2.954 20 10 BFCDMO CC[C@@H](C)C[NH2+]Cc1c(O)cccc1F ZINC000896638489 583819974 /nfs/dbraw/zinc/81/99/74/583819974.db2.gz VFLUVHHNXGWHEH-SECBINFHSA-N 1 1 211.280 2.667 20 10 BFCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000898071180 584082354 /nfs/dbraw/zinc/08/23/54/584082354.db2.gz QINRROOGAKZRRE-BETUJISGSA-N 1 1 231.339 2.933 20 10 BFCDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000902634384 584648171 /nfs/dbraw/zinc/64/81/71/584648171.db2.gz HHZAQVHOHKJBPS-DZGCQCFKSA-N 1 1 249.354 2.618 20 10 BFCDMO CCO[C@@H](C[N@@H+](C)Cc1ccccc1O)C1CC1 ZINC000859188792 589016416 /nfs/dbraw/zinc/01/64/16/589016416.db2.gz CXFFZTIHMYBJFW-HNNXBMFYSA-N 1 1 249.354 2.639 20 10 BFCDMO Oc1c(F)cccc1C[NH+]1CC2(C1)CCCC2 ZINC000839104475 585091101 /nfs/dbraw/zinc/09/11/01/585091101.db2.gz LAVGYAOALFECEL-UHFFFAOYSA-N 1 1 235.302 2.907 20 10 BFCDMO COc1cc(C)cc(C[N@H+]2C[C@@H](C)C[C@H]2C)c1O ZINC000754742249 585290149 /nfs/dbraw/zinc/29/01/49/585290149.db2.gz UPJDCEANDMCZTJ-NWDGAFQWSA-N 1 1 249.354 2.940 20 10 BFCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](C)C2)c1O ZINC000754729541 585290257 /nfs/dbraw/zinc/29/02/57/585290257.db2.gz BCBCKIGYMDGJTN-JTQLQIEISA-N 1 1 235.327 2.551 20 10 BFCDMO C[N@@H+](Cc1ccccn1)Cc1cccc(F)c1[O-] ZINC000757889986 585346343 /nfs/dbraw/zinc/34/63/43/585346343.db2.gz NHRFZMIHZPSHBK-UHFFFAOYSA-N 1 1 246.285 2.558 20 10 BFCDMO C[N@H+](Cc1ccccn1)Cc1cccc(F)c1O ZINC000757889986 585346344 /nfs/dbraw/zinc/34/63/44/585346344.db2.gz NHRFZMIHZPSHBK-UHFFFAOYSA-N 1 1 246.285 2.558 20 10 BFCDMO C[N@@H+](Cc1ccncc1)Cc1cccc(F)c1[O-] ZINC000757887333 585346378 /nfs/dbraw/zinc/34/63/78/585346378.db2.gz HIYURIFVGBMMBG-UHFFFAOYSA-N 1 1 246.285 2.558 20 10 BFCDMO C[N@H+](Cc1ccncc1)Cc1cccc(F)c1O ZINC000757887333 585346379 /nfs/dbraw/zinc/34/63/79/585346379.db2.gz HIYURIFVGBMMBG-UHFFFAOYSA-N 1 1 246.285 2.558 20 10 BFCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2ccoc2)c1 ZINC000769006410 585547516 /nfs/dbraw/zinc/54/75/16/585547516.db2.gz SKEBGDPTISEOMD-UHFFFAOYSA-N 1 1 231.295 2.926 20 10 BFCDMO CN(C)c1ccc(C[N@H+]2CCC2(C)C)cc1F ZINC000769446392 585556991 /nfs/dbraw/zinc/55/69/91/585556991.db2.gz NZTYYTIDOLLEJH-UHFFFAOYSA-N 1 1 236.334 2.876 20 10 BFCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000769450136 585557151 /nfs/dbraw/zinc/55/71/51/585557151.db2.gz AOOGEBISIBNTBE-NEPJUHHUSA-N 1 1 249.354 2.879 20 10 BFCDMO CC[N@@H+](Cc1cccc(OC)c1O)C1CCC1 ZINC000769466584 585557911 /nfs/dbraw/zinc/55/79/11/585557911.db2.gz MKEWBNCXSFTHLU-UHFFFAOYSA-N 1 1 235.327 2.775 20 10 BFCDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccc[nH]2)cc1C ZINC000769544646 585559282 /nfs/dbraw/zinc/55/92/82/585559282.db2.gz ZUEQCMHLLCCANH-UHFFFAOYSA-N 1 1 244.338 2.969 20 10 BFCDMO CC1(C)CC[N@H+]1Cc1cc(F)ccc1O ZINC000779018708 585743998 /nfs/dbraw/zinc/74/39/98/585743998.db2.gz BWANLNOPBLDBFB-UHFFFAOYSA-N 1 1 209.264 2.516 20 10 BFCDMO C[C@@H]1CC[N@@H+](Cc2ccccc2O)C[C@H]1F ZINC000779151397 585745973 /nfs/dbraw/zinc/74/59/73/585745973.db2.gz XWUCXSREUQUIIS-ZYHUDNBSSA-N 1 1 223.291 2.572 20 10 BFCDMO C[C@@H]1CC[N@@H+](Cc2ccccc2O)C[C@@H]1F ZINC000779151396 585745977 /nfs/dbraw/zinc/74/59/77/585745977.db2.gz XWUCXSREUQUIIS-PWSUYJOCSA-N 1 1 223.291 2.572 20 10 BFCDMO Cc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)c1O ZINC000779149044 585746008 /nfs/dbraw/zinc/74/60/08/585746008.db2.gz KEKORHHRUQCVIA-GWCFXTLKSA-N 1 1 237.318 2.881 20 10 BFCDMO C[N@@H+](Cc1ccccc1O)CC1(C)CC1 ZINC000787113483 585901478 /nfs/dbraw/zinc/90/14/78/585901478.db2.gz VWQXBFRQZGHVMT-UHFFFAOYSA-N 1 1 205.301 2.624 20 10 BFCDMO CC1=C(C)C[N@@H+](Cc2ccccc2O)CC1 ZINC000796017293 586095592 /nfs/dbraw/zinc/09/55/92/586095592.db2.gz HRRUKHCTLTZKQD-UHFFFAOYSA-N 1 1 217.312 2.934 20 10 BFCDMO COc1cccc(O)c1C[N@H+]1CCC(C)=C(C)C1 ZINC000796018529 586096276 /nfs/dbraw/zinc/09/62/76/586096276.db2.gz QZVCIFXLNFDPMI-UHFFFAOYSA-N 1 1 247.338 2.943 20 10 BFCDMO CC1=C[C@@H](C)C[N@@H+](Cc2ccccc2O)C1 ZINC000797606002 586129467 /nfs/dbraw/zinc/12/94/67/586129467.db2.gz XIAJOUADIKHXKY-LLVKDONJSA-N 1 1 217.312 2.790 20 10 BFCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000840106274 586447492 /nfs/dbraw/zinc/44/74/92/586447492.db2.gz RHYPDJDWVPRFEG-GFCCVEGCSA-N 1 1 223.291 2.553 20 10 BFCDMO CC[N@@H+](Cc1cc(C)c(C)cc1O)[C@@H]1CCOC1 ZINC000812297146 586572874 /nfs/dbraw/zinc/57/28/74/586572874.db2.gz XJZVTSGNKDJVNX-CQSZACIVSA-N 1 1 249.354 2.620 20 10 BFCDMO CC[N@@H+](Cc1cc(C)cc(C)c1O)[C@H]1CCOC1 ZINC000812297726 586572892 /nfs/dbraw/zinc/57/28/92/586572892.db2.gz AVEOYTQKFOQRMM-AWEZNQCLSA-N 1 1 249.354 2.620 20 10 BFCDMO Cc1cc(C[N@H+]2CC[C@H]3C[C@H]32)ccc1N(C)C ZINC000815079844 586666118 /nfs/dbraw/zinc/66/61/18/586666118.db2.gz YFGRUFDCQZOPET-DZGCQCFKSA-N 1 1 230.355 2.655 20 10 BFCDMO CC[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816483828 586735654 /nfs/dbraw/zinc/73/56/54/586735654.db2.gz GRDZAPAKOLVVLB-UHFFFAOYSA-N 1 1 217.671 2.636 20 10 BFCDMO CC[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816483828 586735655 /nfs/dbraw/zinc/73/56/55/586735655.db2.gz GRDZAPAKOLVVLB-UHFFFAOYSA-N 1 1 217.671 2.636 20 10 BFCDMO CCOc1ccc(C[N@H+]2C[C@H](C)[C@@H]2C)c(O)c1 ZINC000816647433 586749426 /nfs/dbraw/zinc/74/94/26/586749426.db2.gz SBKUFLKQAFWGQH-QWRGUYRKSA-N 1 1 235.327 2.631 20 10 BFCDMO CCOc1cccc(C[N@H+]2C[C@H](C)[C@H]2C)c1O ZINC000816647541 586750715 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ZINC000896639511 583819952 /nfs/dbraw/zinc/81/99/52/583819952.db2.gz VQDQGRZGBJRYOK-MFKMUULPSA-N 1 1 235.302 2.810 20 10 BFCDMO CC(C)[C@H](C)[NH2+]Cc1c(O)cccc1F ZINC000896637942 583820041 /nfs/dbraw/zinc/82/00/41/583820041.db2.gz RYZJQEXWKINFTJ-VIFPVBQESA-N 1 1 211.280 2.665 20 10 BFCDMO Cc1ccc(C[N@H+]2CCn3cccc3C2)c(O)c1 ZINC000896762941 583831602 /nfs/dbraw/zinc/83/16/02/583831602.db2.gz HRMAGZJMTUCAET-UHFFFAOYSA-N 1 1 242.322 2.518 20 10 BFCDMO Cc1ccc(O)c(C[N@H+]2CCn3cccc3C2)c1 ZINC000896762108 583831651 /nfs/dbraw/zinc/83/16/51/583831651.db2.gz XJSJAVXLIMOGGG-UHFFFAOYSA-N 1 1 242.322 2.518 20 10 BFCDMO COc1cc(C)cc(C[N@@H+](C)CC(C)C)c1O ZINC000754720862 585289825 /nfs/dbraw/zinc/28/98/25/585289825.db2.gz TXGJFGOJUZSZNX-UHFFFAOYSA-N 1 1 237.343 2.797 20 10 BFCDMO C[N@@H+](Cc1cccnc1)Cc1cccc(F)c1[O-] ZINC000757877410 585346525 /nfs/dbraw/zinc/34/65/25/585346525.db2.gz ZNKLNCRWMQSVLM-UHFFFAOYSA-N 1 1 246.285 2.558 20 10 BFCDMO C[N@H+](Cc1cccnc1)Cc1cccc(F)c1O ZINC000757877410 585346526 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