smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(C(=O)c1cccc(Cl)c1O)c1ccccc1C(=O)[O-] ZINC001596169678 983533936 /nfs/dbraw/zinc/53/39/36/983533936.db2.gz LVWOQTSEJPCCKF-UHFFFAOYSA-N -1 2 319.744 3.411 20 0 DGADLM CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc([O-])c(F)c(F)c1 ZINC001232973601 1098190418 /nfs/dbraw/zinc/19/04/18/1098190418.db2.gz GJTIXTWLHVVXBN-UHFFFAOYSA-N -1 2 321.323 3.421 20 0 DGADLM Cc1ccnc(S(=O)(=O)Nc2ccc(Cl)cc2[S-])c1 ZINC001198004450 1101722630 /nfs/dbraw/zinc/72/26/30/1101722630.db2.gz HRGLRBYJOWHERA-UHFFFAOYSA-N -1 2 314.819 3.133 20 0 DGADLM Cc1noc(C)c1S(=O)(=O)Nc1cc(Cl)ccc1[S-] ZINC001258629152 1106867954 /nfs/dbraw/zinc/86/79/54/1106867954.db2.gz CKMDVPAPJIHZGU-UHFFFAOYSA-N -1 2 318.807 3.034 20 0 DGADLM O=S(=O)(Nc1ccccc1[S-])c1c(F)cccc1F ZINC001259068323 1107071450 /nfs/dbraw/zinc/07/14/50/1107071450.db2.gz BZUDHONKKOIZSN-UHFFFAOYSA-N -1 2 301.339 3.054 20 0 DGADLM Cc1ccc(S(=O)(=O)[N-]c2cc(O)c(Cl)cc2F)s1 ZINC001260684044 1107294716 /nfs/dbraw/zinc/29/47/16/1107294716.db2.gz RVMNKDZKRAPCKY-UHFFFAOYSA-N -1 2 321.782 3.355 20 0 DGADLM CC[C@@H](Sc1ccc(=N[C@H](C)c2ccccc2)[nH]n1)C(=O)[O-] ZINC000581313975 324103930 /nfs/dbraw/zinc/10/39/30/324103930.db2.gz YBNCPYRPOYMVSO-DGCLKSJQSA-N -1 2 317.414 3.027 20 0 DGADLM Oc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H]2c2cccnc2)o1 ZINC000878309590 624242297 /nfs/dbraw/zinc/24/22/97/624242297.db2.gz QFVACKVBORVNIS-OAHLLOKOSA-N -1 2 322.368 3.174 20 0 DGADLM C[NH+](C)Cc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1F ZINC001566141245 1189747675 /nfs/dbraw/zinc/74/76/75/1189747675.db2.gz LTTOQYLBUVINBB-UHFFFAOYSA-N -1 2 322.767 3.499 20 0 DGADLM CC(C)[C@H]1CCC2=NN(c3ccc(F)c(C(=O)[O-])c3)C(=O)[C@@H]2C1 ZINC001591081985 991595634 /nfs/dbraw/zinc/59/56/34/991595634.db2.gz OLHRFIMKEQHPLM-GXFFZTMASA-N -1 2 318.348 3.299 20 0 DGADLM C[C@H]1C[C@@H](Nc2ccc([P@@](=O)([O-])O)cc2)c2ccccc21 ZINC001169382678 1092657517 /nfs/dbraw/zinc/65/75/17/1092657517.db2.gz XGLZTQHHSHOMGE-MEDUHNTESA-N -1 2 303.298 3.150 20 0 DGADLM C[C@H]1C[C@@H](Nc2ccc([P@](=O)([O-])O)cc2)c2ccccc21 ZINC001169382678 1092657521 /nfs/dbraw/zinc/65/75/21/1092657521.db2.gz XGLZTQHHSHOMGE-MEDUHNTESA-N -1 2 303.298 3.150 20 0 DGADLM O=c1cc(Cl)nc(OC(=C([O-])c2ccco2)c2ccco2)[nH]1 ZINC001225562360 1096468531 /nfs/dbraw/zinc/46/85/31/1096468531.db2.gz HOEKEXXNZKZBLO-ZDUSSCGKSA-N -1 2 320.688 3.025 20 0 DGADLM C[N@H+](Cc1cc(O)c(F)c(F)c1)Cc1cccc2c1OCO2 ZINC001232974273 1098190051 /nfs/dbraw/zinc/19/00/51/1098190051.db2.gz RSOLTKOYIRVHNW-UHFFFAOYSA-N -1 2 307.296 3.031 20 0 DGADLM CC(C)[C@@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)C(F)(F)F ZINC001234334635 1098539181 /nfs/dbraw/zinc/53/91/81/1098539181.db2.gz FHYMFJNWQMFEAF-SNVBAGLBSA-N -1 2 314.196 3.124 20 0 DGADLM CC(C)[C@@H](Oc1ccc(O[P@](=O)([O-])O)cc1)C(F)(F)F ZINC001234334635 1098539185 /nfs/dbraw/zinc/53/91/85/1098539185.db2.gz FHYMFJNWQMFEAF-SNVBAGLBSA-N -1 2 314.196 3.124 20 0 DGADLM O=[P@@]([O-])(O)Oc1ccc(O[C@@H]2CCc3cc(F)ccc32)cc1 ZINC001234334137 1098538827 /nfs/dbraw/zinc/53/88/27/1098538827.db2.gz DIVQCWXVNPSAQG-OAHLLOKOSA-N -1 2 324.244 3.364 20 0 DGADLM O=[P@]([O-])(O)Oc1ccc(O[C@@H]2CCc3cc(F)ccc32)cc1 ZINC001234334137 1098538832 /nfs/dbraw/zinc/53/88/32/1098538832.db2.gz DIVQCWXVNPSAQG-OAHLLOKOSA-N -1 2 324.244 3.364 20 0 DGADLM C[C@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)c1cccc(F)c1 ZINC001234339719 1098540201 /nfs/dbraw/zinc/54/02/01/1098540201.db2.gz RXEAOKFALZLXEM-JTQLQIEISA-N -1 2 312.233 3.437 20 0 DGADLM C[C@H](Oc1ccc(O[P@](=O)([O-])O)cc1)c1cccc(F)c1 ZINC001234339719 1098540205 /nfs/dbraw/zinc/54/02/05/1098540205.db2.gz RXEAOKFALZLXEM-JTQLQIEISA-N -1 2 312.233 3.437 20 0 DGADLM O=[P@@]([O-])(O)c1ccc(-c2cc3c(cccc3Cl)[nH]2)cc1 ZINC001245579340 1104135089 /nfs/dbraw/zinc/13/50/89/1104135089.db2.gz AXVQCGXDCLJVOE-UHFFFAOYSA-N -1 2 307.673 3.291 20 0 DGADLM O=[P@]([O-])(O)c1ccc(-c2cc3c(cccc3Cl)[nH]2)cc1 ZINC001245579340 1104135095 /nfs/dbraw/zinc/13/50/95/1104135095.db2.gz AXVQCGXDCLJVOE-UHFFFAOYSA-N -1 2 307.673 3.291 20 0 DGADLM O=C([O-])c1ccc(Cn2[nH]c(-c3ccc(F)cc3)cc2=O)cc1 ZINC001245917973 1104306804 /nfs/dbraw/zinc/30/68/04/1104306804.db2.gz OWGCBWUIVKJAFA-UHFFFAOYSA-N -1 2 312.300 3.141 20 0 DGADLM COc1cccc(-c2cc(=O)n(-c3cc(C(=O)[O-])ccc3C)[nH]2)c1 ZINC001245919211 1104308176 /nfs/dbraw/zinc/30/81/76/1104308176.db2.gz OCFKYUXYOMJAEY-UHFFFAOYSA-N -1 2 324.336 3.260 20 0 DGADLM Cc1noc(C)c1S(=O)(=O)Nc1ccc(Cl)cc1[S-] ZINC001258650041 1106880382 /nfs/dbraw/zinc/88/03/82/1106880382.db2.gz CDWDELXTZQKROK-UHFFFAOYSA-N -1 2 318.807 3.034 20 0 DGADLM Oc1cc(F)cc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000433750011 238165588 /nfs/dbraw/zinc/16/55/88/238165588.db2.gz RLKHCYNZWQMOGR-OAHLLOKOSA-N -1 2 315.392 3.054 20 0 DGADLM CSC1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000194651887 201268338 /nfs/dbraw/zinc/26/83/38/201268338.db2.gz FBEHCZVXGMFTLQ-UHFFFAOYSA-N -1 2 306.214 3.324 20 0 DGADLM Oc1cccc(C[NH2+][C@H]2CCCc3c[nH]nc32)c1Br ZINC000459426054 243365921 /nfs/dbraw/zinc/36/59/21/243365921.db2.gz CPZYKNSYOSXMKK-NSHDSACASA-N -1 2 322.206 3.045 20 0 DGADLM CC[C@H]1C[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000356051872 266268248 /nfs/dbraw/zinc/26/82/48/266268248.db2.gz HWFJGMKCLKZWQL-HZMBPMFUSA-N -1 2 303.324 3.410 20 0 DGADLM CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356105306 266284429 /nfs/dbraw/zinc/28/44/29/266284429.db2.gz CIGXGJXOKMXICA-SNVBAGLBSA-N -1 2 319.323 3.183 20 0 DGADLM Oc1cc(F)cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000185463479 432501752 /nfs/dbraw/zinc/50/17/52/432501752.db2.gz FKEGRXMPJSIQOE-UHFFFAOYSA-N -1 2 311.360 3.066 20 0 DGADLM CCc1cc(=O)[nH]c(C[NH2+]C2(c3ccc(Cl)cc3)CC2)n1 ZINC000341879541 433331727 /nfs/dbraw/zinc/33/17/27/433331727.db2.gz UDLHCYCANAZFIB-UHFFFAOYSA-N -1 2 303.793 3.177 20 0 DGADLM C[C@@H](CNc1nc(-c2ccccc2)ns1)[N@@H+]1CCCC[C@H]1C ZINC000462930734 434937108 /nfs/dbraw/zinc/93/71/08/434937108.db2.gz UAWLPIMNEZRFAY-KGLIPLIRSA-N -1 2 316.474 3.302 20 0 DGADLM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(Cl)c1O ZINC001600360659 1192836961 /nfs/dbraw/zinc/83/69/61/1192836961.db2.gz VTTMESFVCSYBIN-UHFFFAOYSA-N -1 2 305.717 3.305 20 0 DGADLM COc1ccc(NC(=O)c2cccc(Cl)c2O)c(C(=O)[O-])c1 ZINC001610342312 1193383434 /nfs/dbraw/zinc/38/34/34/1193383434.db2.gz DJYFBCMPSUBUSX-UHFFFAOYSA-N -1 2 321.716 3.005 20 0 DGADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C3CC3)cc2)s1 ZINC001610835628 1193412141 /nfs/dbraw/zinc/41/21/41/1193412141.db2.gz BZKGPAWIBLGNQY-UHFFFAOYSA-N -1 2 323.395 3.125 20 0 DGADLM Cc1cc(C[N@H+](Cc2ccccc2)Cc2ccncc2O)on1 ZINC001140280524 1091815906 /nfs/dbraw/zinc/81/59/06/1091815906.db2.gz IQYKVPDVNSMAHF-UHFFFAOYSA-N -1 2 309.369 3.286 20 0 DGADLM O=[P@@]([O-])(O)c1ccc(NCc2cccc3sccc32)cc1 ZINC001171378518 1096605687 /nfs/dbraw/zinc/60/56/87/1096605687.db2.gz BXTDSAMETFJJNL-UHFFFAOYSA-N -1 2 319.322 3.316 20 0 DGADLM O=[P@]([O-])(O)c1ccc(NCc2cccc3sccc32)cc1 ZINC001171378518 1096605688 /nfs/dbraw/zinc/60/56/88/1096605688.db2.gz BXTDSAMETFJJNL-UHFFFAOYSA-N -1 2 319.322 3.316 20 0 DGADLM O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232973572 1098189855 /nfs/dbraw/zinc/18/98/55/1098189855.db2.gz FPFPWLWYOSCTFB-CQSZACIVSA-N -1 2 317.335 3.375 20 0 DGADLM O=C([O-])c1cc(Nc2ccc(-n3cc[nH+]c3)cc2)cc(C(=O)[O-])c1 ZINC001176238157 1098292935 /nfs/dbraw/zinc/29/29/35/1098292935.db2.gz NVJBTOYJGUCBGI-UHFFFAOYSA-N -1 2 323.308 3.012 20 0 DGADLM O=[P@@]([O-])(O)Oc1ccc(O[C@H]2CCc3ccccc3C2)cc1 ZINC001234332395 1098537702 /nfs/dbraw/zinc/53/77/02/1098537702.db2.gz PMWGZRBFUPHSIR-INIZCTEOSA-N -1 2 320.281 3.094 20 0 DGADLM O=[P@]([O-])(O)Oc1ccc(O[C@H]2CCc3ccccc3C2)cc1 ZINC001234332395 1098537703 /nfs/dbraw/zinc/53/77/03/1098537703.db2.gz PMWGZRBFUPHSIR-INIZCTEOSA-N -1 2 320.281 3.094 20 0 DGADLM Cc1ccc([C@@H](C)Oc2ccc(O[P@@](=O)([O-])O)cc2)cn1 ZINC001234331878 1098538139 /nfs/dbraw/zinc/53/81/39/1098538139.db2.gz KRQISEQOVDNYLV-LLVKDONJSA-N -1 2 309.258 3.002 20 0 DGADLM Cc1ccc([C@@H](C)Oc2ccc(O[P@](=O)([O-])O)cc2)cn1 ZINC001234331878 1098538145 /nfs/dbraw/zinc/53/81/45/1098538145.db2.gz KRQISEQOVDNYLV-LLVKDONJSA-N -1 2 309.258 3.002 20 0 DGADLM COc1cccc(-c2ccc([P@@](=O)([O-])O)cc2)c1C1CC1 ZINC001244252106 1103312861 /nfs/dbraw/zinc/31/28/61/1103312861.db2.gz NKSIIFPCHXHDOY-UHFFFAOYSA-N -1 2 304.282 3.043 20 0 DGADLM COc1cccc(-c2ccc([P@](=O)([O-])O)cc2)c1C1CC1 ZINC001244252106 1103312878 /nfs/dbraw/zinc/31/28/78/1103312878.db2.gz NKSIIFPCHXHDOY-UHFFFAOYSA-N -1 2 304.282 3.043 20 0 DGADLM Cc1ccc(C(=O)[O-])cc1-n1[nH]c(-c2cccc(F)c2)cc1=O ZINC001245921325 1104311438 /nfs/dbraw/zinc/31/14/38/1104311438.db2.gz WDXWUSUINRCBDJ-UHFFFAOYSA-N -1 2 312.300 3.391 20 0 DGADLM CCc1c(Cl)cc([N-]S(=O)(=O)C(F)F)c(O)c1Cl ZINC001259959742 1107230915 /nfs/dbraw/zinc/23/09/15/1107230915.db2.gz WACFOBRNCPDYIW-UHFFFAOYSA-N -1 2 320.144 3.226 20 0 DGADLM Oc1cc(F)cc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000186195734 432568201 /nfs/dbraw/zinc/56/82/01/432568201.db2.gz MWQDMCOZXWVJOG-KRWDZBQOSA-N -1 2 305.349 3.306 20 0 DGADLM CC(C)O[C@H]1C[C@@H]([NH2+]Cc2nc(=O)c3sccc3[nH]2)C1(C)C ZINC000298032880 433042472 /nfs/dbraw/zinc/04/24/72/433042472.db2.gz CKVCNEFQWRGRDM-NEPJUHHUSA-N -1 2 321.446 3.079 20 0 DGADLM Oc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1Cl ZINC000294302597 434075008 /nfs/dbraw/zinc/07/50/08/434075008.db2.gz PZKWPTBAVYCLMY-BBRMVZONSA-N -1 2 320.864 3.494 20 0 DGADLM C[C@H](CNc1nc(-c2ccccc2)ns1)[N@@H+]1CCCC[C@H]1C ZINC000462930736 434936311 /nfs/dbraw/zinc/93/63/11/434936311.db2.gz UAWLPIMNEZRFAY-ZIAGYGMSSA-N -1 2 316.474 3.302 20 0 DGADLM COC(=O)[C@@H](C)C(=O)c1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000570216116 435600040 /nfs/dbraw/zinc/60/00/40/435600040.db2.gz OWJDXSIGAALCHL-NSHDSACASA-N -1 2 312.321 3.044 20 0 DGADLM COC(=O)C(C)=C(O)c1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000570216116 435600044 /nfs/dbraw/zinc/60/00/44/435600044.db2.gz OWJDXSIGAALCHL-NSHDSACASA-N -1 2 312.321 3.044 20 0 DGADLM CCOc1cc(CNc2ccc(OC)c[nH+]2)cc(Cl)c1O ZINC000656507160 435965184 /nfs/dbraw/zinc/96/51/84/435965184.db2.gz HWZSQQLWMSSXOF-UHFFFAOYSA-N -1 2 308.765 3.460 20 0 DGADLM Oc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1F ZINC000582606997 324252018 /nfs/dbraw/zinc/25/20/18/324252018.db2.gz IEBUMJMSGRSULG-ZDUSSCGKSA-N -1 2 305.324 3.324 20 0 DGADLM C[C@@H]1Cc2ccccc2C[N@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC000878132042 624182448 /nfs/dbraw/zinc/18/24/48/624182448.db2.gz JKQAVIQXLOHRLW-CYBMUJFWSA-N -1 2 321.380 3.389 20 0 DGADLM CC(C)C[C@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000820067034 628220367 /nfs/dbraw/zinc/22/03/67/628220367.db2.gz ATTHLOHHMPERDY-CYBMUJFWSA-N -1 2 322.416 3.287 20 0 DGADLM CN(C(=O)[O-])c1ccc(NC(=O)c2cccc(Cl)c2O)cc1 ZINC000833685952 629641829 /nfs/dbraw/zinc/64/18/29/629641829.db2.gz UXFNTOQDAYNEFF-UHFFFAOYSA-N -1 2 320.732 3.412 20 0 DGADLM Cc1ccc(N[C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c(C)[nH+]1 ZINC001592183450 1192600415 /nfs/dbraw/zinc/60/04/15/1192600415.db2.gz DTZFPRJCQPCFHP-QGZVFWFLSA-N -1 2 320.400 3.368 20 0 DGADLM O=C([O-])c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)o1 ZINC001602324568 1192969882 /nfs/dbraw/zinc/96/98/82/1192969882.db2.gz XLHGVFHOUUQOQU-UHFFFAOYSA-N -1 2 316.096 3.243 20 0 DGADLM CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccc(O)c(F)c2F)C1 ZINC001462466152 1182955822 /nfs/dbraw/zinc/95/58/22/1182955822.db2.gz IARJSYVQGIQHPO-OAHLLOKOSA-N -1 2 318.367 3.381 20 0 DGADLM O=C([O-])CCCONC(=O)C1(c2ccccc2)CCCCCC1 ZINC001608715989 1193301506 /nfs/dbraw/zinc/30/15/06/1193301506.db2.gz PBMLVAOKJWCUJU-UHFFFAOYSA-N -1 2 319.401 3.191 20 0 DGADLM O=C([O-])c1ccc(NC(=O)c2cccc(Cl)c2O)cc1F ZINC001608902671 1193312220 /nfs/dbraw/zinc/31/22/20/1193312220.db2.gz BNNATJDZYXTTOB-UHFFFAOYSA-N -1 2 309.680 3.135 20 0 DGADLM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC001602853185 971697765 /nfs/dbraw/zinc/69/77/65/971697765.db2.gz MXZTULHVBVKYEF-SECBINFHSA-N -1 2 320.172 3.384 20 0 DGADLM C[C@@H](CC(=O)[O-])CC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC001592391110 977934366 /nfs/dbraw/zinc/93/43/66/977934366.db2.gz BLLMGQCKSSAYJY-ZCFIWIBFSA-N -1 2 306.145 3.138 20 0 DGADLM Cc1ccc([C@H](C)Nc2ccc([P@@](=O)([O-])O)cc2)c(C)c1 ZINC001170726526 1083240514 /nfs/dbraw/zinc/24/05/14/1083240514.db2.gz ZHBHJDHBZHFTPU-ZDUSSCGKSA-N -1 2 305.314 3.280 20 0 DGADLM Cc1ccc([C@H](C)Nc2ccc([P@](=O)([O-])O)cc2)c(C)c1 ZINC001170726526 1083240517 /nfs/dbraw/zinc/24/05/17/1083240517.db2.gz ZHBHJDHBZHFTPU-ZDUSSCGKSA-N -1 2 305.314 3.280 20 0 DGADLM O=c1cc(Cl)nc(OC(=C([O-])c2ccco2)c2ccco2)[nH]1 ZINC001225562355 1096468644 /nfs/dbraw/zinc/46/86/44/1096468644.db2.gz HOEKEXXNZKZBLO-CYBMUJFWSA-N -1 2 320.688 3.025 20 0 DGADLM C[C@@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)c1cccc(F)c1 ZINC001234332774 1098537730 /nfs/dbraw/zinc/53/77/30/1098537730.db2.gz RXEAOKFALZLXEM-SNVBAGLBSA-N -1 2 312.233 3.437 20 0 DGADLM C[C@@H](Oc1ccc(O[P@](=O)([O-])O)cc1)c1cccc(F)c1 ZINC001234332774 1098537731 /nfs/dbraw/zinc/53/77/31/1098537731.db2.gz RXEAOKFALZLXEM-SNVBAGLBSA-N -1 2 312.233 3.437 20 0 DGADLM C[C@@H](COc1ccc(O[P@@](=O)([O-])O)cc1)Oc1ccccc1 ZINC001234332629 1098537742 /nfs/dbraw/zinc/53/77/42/1098537742.db2.gz QPTGVWNTHDYDCY-LBPRGKRZSA-N -1 2 324.269 3.004 20 0 DGADLM C[C@@H](COc1ccc(O[P@](=O)([O-])O)cc1)Oc1ccccc1 ZINC001234332629 1098537744 /nfs/dbraw/zinc/53/77/44/1098537744.db2.gz QPTGVWNTHDYDCY-LBPRGKRZSA-N -1 2 324.269 3.004 20 0 DGADLM CCCC(=O)[C@@H](CCC)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234333158 1098537760 /nfs/dbraw/zinc/53/77/60/1098537760.db2.gz TXEUCLDBUBSOFA-CQSZACIVSA-N -1 2 316.290 3.075 20 0 DGADLM CCCC(=O)[C@@H](CCC)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234333158 1098537765 /nfs/dbraw/zinc/53/77/65/1098537765.db2.gz TXEUCLDBUBSOFA-CQSZACIVSA-N -1 2 316.290 3.075 20 0 DGADLM C[C@H](COc1ccc(O[P@@](=O)([O-])O)cc1)Oc1ccccc1 ZINC001234332626 1098537953 /nfs/dbraw/zinc/53/79/53/1098537953.db2.gz QPTGVWNTHDYDCY-GFCCVEGCSA-N -1 2 324.269 3.004 20 0 DGADLM C[C@H](COc1ccc(O[P@](=O)([O-])O)cc1)Oc1ccccc1 ZINC001234332626 1098537957 /nfs/dbraw/zinc/53/79/57/1098537957.db2.gz QPTGVWNTHDYDCY-GFCCVEGCSA-N -1 2 324.269 3.004 20 0 DGADLM O=[P@@]([O-])(O)Oc1ccc(O[C@@H]2CCCc3cccnc32)cc1 ZINC001234338964 1098540140 /nfs/dbraw/zinc/54/01/40/1098540140.db2.gz MKTSZBXMQVCBFW-CQSZACIVSA-N -1 2 321.269 3.010 20 0 DGADLM O=[P@]([O-])(O)Oc1ccc(O[C@@H]2CCCc3cccnc32)cc1 ZINC001234338964 1098540141 /nfs/dbraw/zinc/54/01/41/1098540141.db2.gz MKTSZBXMQVCBFW-CQSZACIVSA-N -1 2 321.269 3.010 20 0 DGADLM COc1cccc(C2=NN(Cc3ccc(C(=O)[O-])cc3)C(=O)C2)c1 ZINC001245919857 1104310140 /nfs/dbraw/zinc/31/01/40/1104310140.db2.gz UWANQULESZXQTD-UHFFFAOYSA-N -1 2 324.336 3.011 20 0 DGADLM COc1cccc(-c2cc(=O)n(Cc3ccc(C(=O)[O-])cc3)[nH]2)c1 ZINC001245919857 1104310149 /nfs/dbraw/zinc/31/01/49/1104310149.db2.gz UWANQULESZXQTD-UHFFFAOYSA-N -1 2 324.336 3.011 20 0 DGADLM O=S(=O)(Nc1ccc([S-])cc1)c1ccc(Cl)s1 ZINC001256484713 1106429491 /nfs/dbraw/zinc/42/94/91/1106429491.db2.gz FGSOYPOTQNIBAN-UHFFFAOYSA-N -1 2 305.833 3.491 20 0 DGADLM CC[C@@H]1C[N@H+](Cc2cc(O)ccc2Cl)[C@@H](CC)CN1C(C)=O ZINC000625204264 401058883 /nfs/dbraw/zinc/05/88/83/401058883.db2.gz NJYJPFGHZBXLDO-LSDHHAIUSA-N -1 2 324.852 3.267 20 0 DGADLM CC[C@@H]1C[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000356051880 266268684 /nfs/dbraw/zinc/26/86/84/266268684.db2.gz HWFJGMKCLKZWQL-QMTHXVAHSA-N -1 2 303.324 3.410 20 0 DGADLM O=C(NCCCCNc1cccc[nH+]1)c1cc(O)ccc1Cl ZINC000277865497 432875946 /nfs/dbraw/zinc/87/59/46/432875946.db2.gz ZOUBXIRYBQAMED-UHFFFAOYSA-N -1 2 319.792 3.063 20 0 DGADLM CCOc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc(Cl)c1O ZINC000297887890 433028835 /nfs/dbraw/zinc/02/88/35/433028835.db2.gz QVVCIPNLTFRBEE-UONOGXRCSA-N -1 2 311.809 3.198 20 0 DGADLM CCOc1cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cc(Cl)c1O ZINC000297887893 433029734 /nfs/dbraw/zinc/02/97/34/433029734.db2.gz QVVCIPNLTFRBEE-ZIAGYGMSSA-N -1 2 311.809 3.198 20 0 DGADLM CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc(O)c(C)c1 ZINC000281909270 433424628 /nfs/dbraw/zinc/42/46/28/433424628.db2.gz URGHBJYNCAGPGV-HNNXBMFYSA-N -1 2 313.401 3.284 20 0 DGADLM COc1ccc(C[N@@H+]2CCC[C@H]2CF)c(Br)c1O ZINC000293872805 433906671 /nfs/dbraw/zinc/90/66/71/433906671.db2.gz CPQOLDZOWBMOLW-JTQLQIEISA-N -1 2 318.186 3.097 20 0 DGADLM Oc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1Cl ZINC000294302607 434077097 /nfs/dbraw/zinc/07/70/97/434077097.db2.gz PZKWPTBAVYCLMY-CJNGLKHVSA-N -1 2 320.864 3.494 20 0 DGADLM CCc1ccc(-n2c(O)c(CC(F)(F)F)[nH]c2=O)cc1Cl ZINC000285893951 434099158 /nfs/dbraw/zinc/09/91/58/434099158.db2.gz DZICCTQLEPAGMQ-JTQLQIEISA-N -1 2 320.698 3.280 20 0 DGADLM C[C@@H](CN=c1nc(-c2ccccc2)[nH]s1)[N@@H+]1CCC[C@@H](C)C1 ZINC000462779102 434928661 /nfs/dbraw/zinc/92/86/61/434928661.db2.gz QGVFVJPVECXMLD-KGLIPLIRSA-N -1 2 316.474 3.159 20 0 DGADLM Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc3[nH]nnc31)CCC2 ZINC000580146318 435207375 /nfs/dbraw/zinc/20/73/75/435207375.db2.gz GOTFSKASXJQSEH-HNNXBMFYSA-N -1 2 306.369 3.074 20 0 DGADLM O=C(Nc1nc(-c2ccccc2F)n[nH]1)[C@H]1CC12CCCC2 ZINC000530627315 313389789 /nfs/dbraw/zinc/38/97/89/313389789.db2.gz KFRICBHNTSQGDN-LLVKDONJSA-N -1 2 300.337 3.130 20 0 DGADLM C[C@H]1Cc2ccccc2C[N@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC000878132043 624182358 /nfs/dbraw/zinc/18/23/58/624182358.db2.gz JKQAVIQXLOHRLW-ZDUSSCGKSA-N -1 2 321.380 3.389 20 0 DGADLM COc1cc(NC(=O)c2cccc(Cl)c2O)ccc1C(=O)[O-] ZINC001607179496 1193216928 /nfs/dbraw/zinc/21/69/28/1193216928.db2.gz RNERHDWTMJMSGU-UHFFFAOYSA-N -1 2 321.716 3.005 20 0 DGADLM COc1ccc(OCC[N@H+](C)Cc2ccc(O)c(F)c2F)cc1 ZINC001664099473 1196970947 /nfs/dbraw/zinc/97/09/47/1196970947.db2.gz DRGVMUMOFYNXIR-UHFFFAOYSA-N -1 2 323.339 3.190 20 0 DGADLM Oc1cnccc1C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC001140275806 1091813213 /nfs/dbraw/zinc/81/32/13/1091813213.db2.gz SLHVDDGCWNAFNJ-IBGZPJMESA-N -1 2 305.381 3.194 20 0 DGADLM Oc1cnccc1C[N@@H+]1CCc2ccc(Br)cc2C1 ZINC001140277064 1091813921 /nfs/dbraw/zinc/81/39/21/1091813921.db2.gz SATSVWUFEXEMCJ-UHFFFAOYSA-N -1 2 319.202 3.108 20 0 DGADLM C[N@@H+]1CCN(Cc2cc(O)c(F)c(F)c2)[C@@H](c2ccccc2)C1 ZINC001232967917 1098186911 /nfs/dbraw/zinc/18/69/11/1098186911.db2.gz BCJUPEDHOPZDDB-MRXNPFEDSA-N -1 2 318.367 3.159 20 0 DGADLM C[C@@H]1CCC[C@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)[C@H]1C ZINC001234331690 1098538155 /nfs/dbraw/zinc/53/81/55/1098538155.db2.gz KAMWFQOPXGMQRT-SUNKGSAMSA-N -1 2 300.291 3.362 20 0 DGADLM C[C@@H]1CCC[C@H](Oc2ccc(O[P@](=O)([O-])O)cc2)[C@H]1C ZINC001234331690 1098538159 /nfs/dbraw/zinc/53/81/59/1098538159.db2.gz KAMWFQOPXGMQRT-SUNKGSAMSA-N -1 2 300.291 3.362 20 0 DGADLM O=[P@@]([O-])(O)Oc1ccc(O[C@@H]2CCc3ccccc32)cc1 ZINC001234336600 1098538556 /nfs/dbraw/zinc/53/85/56/1098538556.db2.gz RZJKXGRRRAVWHD-OAHLLOKOSA-N -1 2 306.254 3.224 20 0 DGADLM O=[P@]([O-])(O)Oc1ccc(O[C@@H]2CCc3ccccc32)cc1 ZINC001234336600 1098538558 /nfs/dbraw/zinc/53/85/58/1098538558.db2.gz RZJKXGRRRAVWHD-OAHLLOKOSA-N -1 2 306.254 3.224 20 0 DGADLM C[C@@H]1CC[C@H](C)[C@@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)C1 ZINC001234333863 1098538585 /nfs/dbraw/zinc/53/85/85/1098538585.db2.gz ZZSOPNNPEWRATM-SUNKGSAMSA-N -1 2 300.291 3.362 20 0 DGADLM C[C@@H]1CC[C@H](C)[C@@H](Oc2ccc(O[P@](=O)([O-])O)cc2)C1 ZINC001234333863 1098538587 /nfs/dbraw/zinc/53/85/87/1098538587.db2.gz ZZSOPNNPEWRATM-SUNKGSAMSA-N -1 2 300.291 3.362 20 0 DGADLM C[C@@H]1CC[C@@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)C[C@@H]1C ZINC001234333227 1098538763 /nfs/dbraw/zinc/53/87/63/1098538763.db2.gz VXFPAYBVJLXDDX-UHIISALHSA-N -1 2 300.291 3.362 20 0 DGADLM C[C@@H]1CC[C@@H](Oc2ccc(O[P@](=O)([O-])O)cc2)C[C@@H]1C ZINC001234333227 1098538770 /nfs/dbraw/zinc/53/87/70/1098538770.db2.gz VXFPAYBVJLXDDX-UHIISALHSA-N -1 2 300.291 3.362 20 0 DGADLM C[C@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)c1ccccc1F ZINC001234340082 1098540245 /nfs/dbraw/zinc/54/02/45/1098540245.db2.gz SIIHZIDQTKUVLA-JTQLQIEISA-N -1 2 312.233 3.437 20 0 DGADLM C[C@H](Oc1ccc(O[P@](=O)([O-])O)cc1)c1ccccc1F ZINC001234340082 1098540249 /nfs/dbraw/zinc/54/02/49/1098540249.db2.gz SIIHZIDQTKUVLA-JTQLQIEISA-N -1 2 312.233 3.437 20 0 DGADLM O=[P@@]([O-])(O)c1ccc(C2=CC[C@@H](C(F)(F)F)CC2)cc1 ZINC001236257581 1099505429 /nfs/dbraw/zinc/50/54/29/1099505429.db2.gz BXRUSISBOGAJHU-LLVKDONJSA-N -1 2 306.220 3.235 20 0 DGADLM O=[P@]([O-])(O)c1ccc(C2=CC[C@@H](C(F)(F)F)CC2)cc1 ZINC001236257581 1099505439 /nfs/dbraw/zinc/50/54/39/1099505439.db2.gz BXRUSISBOGAJHU-LLVKDONJSA-N -1 2 306.220 3.235 20 0 DGADLM Cn1c[nH+]cc1-c1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242163026 1101953846 /nfs/dbraw/zinc/95/38/46/1101953846.db2.gz PDNRJNBLUUMUJA-UHFFFAOYSA-N -1 2 322.320 3.151 20 0 DGADLM Cc1ccc(OC(C)C)c(-c2ccc([P@@](=O)([O-])O)cc2)c1 ZINC001243091058 1102519774 /nfs/dbraw/zinc/51/97/74/1102519774.db2.gz KWKVORZRDBLVJM-UHFFFAOYSA-N -1 2 306.298 3.252 20 0 DGADLM Cc1ccc(OC(C)C)c(-c2ccc([P@](=O)([O-])O)cc2)c1 ZINC001243091058 1102519780 /nfs/dbraw/zinc/51/97/80/1102519780.db2.gz KWKVORZRDBLVJM-UHFFFAOYSA-N -1 2 306.298 3.252 20 0 DGADLM Cc1cc(C2CC2)cc(F)c1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001244130259 1103229931 /nfs/dbraw/zinc/22/99/31/1103229931.db2.gz YZCZAUMHVBQRRG-UHFFFAOYSA-N -1 2 306.273 3.482 20 0 DGADLM Cc1cc(C2CC2)cc(F)c1-c1ccc([P@](=O)([O-])O)cc1 ZINC001244130259 1103229944 /nfs/dbraw/zinc/22/99/44/1103229944.db2.gz YZCZAUMHVBQRRG-UHFFFAOYSA-N -1 2 306.273 3.482 20 0 DGADLM CCC[NH+]1CCN(C(=S)Nc2ccccc2SC)CC1 ZINC001249697290 1105359268 /nfs/dbraw/zinc/35/92/68/1105359268.db2.gz ZMZBYHIWBMESIP-UHFFFAOYSA-N -1 2 309.504 3.133 20 0 DGADLM COc1cc(C)cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1O ZINC000106456727 284046756 /nfs/dbraw/zinc/04/67/56/284046756.db2.gz PDBAZNMEYNZPCL-UHFFFAOYSA-N -1 2 323.352 3.147 20 0 DGADLM Oc1ccc(Cl)c(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000625080933 401025359 /nfs/dbraw/zinc/02/53/59/401025359.db2.gz HKDGTYREGSTUNY-UHFFFAOYSA-N -1 2 322.758 3.116 20 0 DGADLM C[C@@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)c2ccccc2S1 ZINC000656499198 435963185 /nfs/dbraw/zinc/96/31/85/435963185.db2.gz BTDLDBKGTAUZJZ-LLVKDONJSA-N -1 2 324.409 3.489 20 0 DGADLM CC[C@H](Sc1ccc(=N[C@@H](C)c2ccccc2)[nH]n1)C(=O)[O-] ZINC000581313974 324104214 /nfs/dbraw/zinc/10/42/14/324104214.db2.gz YBNCPYRPOYMVSO-AAEUAGOBSA-N -1 2 317.414 3.027 20 0 DGADLM Oc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)o1 ZINC000878213664 624217879 /nfs/dbraw/zinc/21/78/79/624217879.db2.gz MJQJBOXXZPGBFR-AWEZNQCLSA-N -1 2 310.357 3.107 20 0 DGADLM Cc1ccc2c(c1)C[N@H+](Cc1nnc(-c3ccccc3O)o1)CC2 ZINC000878915444 624386545 /nfs/dbraw/zinc/38/65/45/624386545.db2.gz VCNOOBPOVJCKOP-UHFFFAOYSA-N -1 2 321.380 3.309 20 0 DGADLM CC(C)C[C@@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000820067035 628219861 /nfs/dbraw/zinc/21/98/61/628219861.db2.gz ATTHLOHHMPERDY-ZDUSSCGKSA-N -1 2 322.416 3.287 20 0 DGADLM O=C([O-])Nc1ccc(NC(=O)c2cc(F)c(O)c(F)c2)cc1 ZINC000833289002 629578429 /nfs/dbraw/zinc/57/84/29/629578429.db2.gz CXUGACYFYPQAOR-UHFFFAOYSA-N -1 2 308.240 3.013 20 0 DGADLM O=C([O-])/C(=C\c1cc(Cl)c(O)cc1Cl)c1ncccn1 ZINC001601635463 1192935308 /nfs/dbraw/zinc/93/53/08/1192935308.db2.gz URRUMXAENPXNAF-YWEYNIOJSA-N -1 2 311.124 3.114 20 0 DGADLM O=C([O-])CCCCC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC001595035020 951396845 /nfs/dbraw/zinc/39/68/45/951396845.db2.gz PLGDBRMRXYCHAM-UHFFFAOYSA-N -1 2 306.145 3.283 20 0 DGADLM CC(C)c1ccc(CNc2ccc([P@@](=O)([O-])O)cc2)cc1 ZINC001163822476 1090265700 /nfs/dbraw/zinc/26/57/00/1090265700.db2.gz HHMRPHYDPWLDHG-UHFFFAOYSA-N -1 2 305.314 3.225 20 0 DGADLM CC(C)c1ccc(CNc2ccc([P@](=O)([O-])O)cc2)cc1 ZINC001163822476 1090265704 /nfs/dbraw/zinc/26/57/04/1090265704.db2.gz HHMRPHYDPWLDHG-UHFFFAOYSA-N -1 2 305.314 3.225 20 0 DGADLM CC[N@@H+]1CCN(Cc2cc(Cl)c(O)c(Cl)c2)C[C@H]1C ZINC001140836598 1092026125 /nfs/dbraw/zinc/02/61/25/1092026125.db2.gz MTQMEFPFYPJFQV-SNVBAGLBSA-N -1 2 303.233 3.225 20 0 DGADLM Cc1ccc(N2CCC[C@@H](Oc3ccc4c(c3)OCC4=O)C2)[nH+]c1 ZINC001225341029 1096400472 /nfs/dbraw/zinc/40/04/72/1096400472.db2.gz VUGRWPHTDDIYQM-OAHLLOKOSA-N -1 2 324.380 3.013 20 0 DGADLM C[C@H](COc1ccccc1)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234333484 1098539145 /nfs/dbraw/zinc/53/91/45/1098539145.db2.gz WNKSHRWOALMSIA-GFCCVEGCSA-N -1 2 324.269 3.004 20 0 DGADLM C[C@H](COc1ccccc1)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234333484 1098539151 /nfs/dbraw/zinc/53/91/51/1098539151.db2.gz WNKSHRWOALMSIA-GFCCVEGCSA-N -1 2 324.269 3.004 20 0 DGADLM CC(C)n1cnc2cc(-c3ccc([P@@](=O)([O-])O)cc3)ccc21 ZINC001240373085 1100964844 /nfs/dbraw/zinc/96/48/44/1100964844.db2.gz YZBYYAFSJZFZTO-UHFFFAOYSA-N -1 2 316.297 3.087 20 0 DGADLM CC(C)n1cnc2cc(-c3ccc([P@](=O)([O-])O)cc3)ccc21 ZINC001240373085 1100964851 /nfs/dbraw/zinc/96/48/51/1100964851.db2.gz YZBYYAFSJZFZTO-UHFFFAOYSA-N -1 2 316.297 3.087 20 0 DGADLM Cn1c[nH+]cc1-c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001242162928 1101954217 /nfs/dbraw/zinc/95/42/17/1101954217.db2.gz MJDWXFLWGXBCOI-UHFFFAOYSA-N -1 2 322.320 3.151 20 0 DGADLM Cc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)c(OC(C)C)c1 ZINC001243435348 1102719848 /nfs/dbraw/zinc/71/98/48/1102719848.db2.gz RAPXMCJEOJCPOX-UHFFFAOYSA-N -1 2 306.298 3.252 20 0 DGADLM Cc1ccc(-c2ccc([P@](=O)([O-])O)cc2)c(OC(C)C)c1 ZINC001243435348 1102719854 /nfs/dbraw/zinc/71/98/54/1102719854.db2.gz RAPXMCJEOJCPOX-UHFFFAOYSA-N -1 2 306.298 3.252 20 0 DGADLM O=C([O-])CCC(=O)Nc1ccc(-c2ccc(S)cc2)cc1 ZINC001244032287 1103154228 /nfs/dbraw/zinc/15/42/28/1103154228.db2.gz PEMLWHFNYSWSTH-UHFFFAOYSA-N -1 2 301.367 3.446 20 0 DGADLM CSc1ccccc1[N-]C(=S)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC001249697269 1105359186 /nfs/dbraw/zinc/35/91/86/1105359186.db2.gz YPLPIQAVFDKCHY-TXEJJXNPSA-N -1 2 309.504 3.130 20 0 DGADLM CC(C)[C@H]1CCC2=NN(c3cccc(C(=O)[O-])c3)C(=O)[C@H]2C1 ZINC000634598411 401318731 /nfs/dbraw/zinc/31/87/31/401318731.db2.gz KCKUKUZRSXJEDB-FZMZJTMJSA-N -1 2 300.358 3.160 20 0 DGADLM COCc1ccc([C@H]2CCC[N@@H+]2[C@H](C)c2nc(C)cc(=O)[nH]2)o1 ZINC000192787566 432414315 /nfs/dbraw/zinc/41/43/15/432414315.db2.gz GMQOHFSUIJGCQF-TZMCWYRMSA-N -1 2 317.389 3.128 20 0 DGADLM CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000186221070 432569298 /nfs/dbraw/zinc/56/92/98/432569298.db2.gz LQPKMQGFUBXSLD-OAHLLOKOSA-N -1 2 303.381 3.127 20 0 DGADLM CCc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2cc(C)no2)o1 ZINC000265473622 432702564 /nfs/dbraw/zinc/70/25/64/432702564.db2.gz QDFQCJHZGOGLCE-TZMCWYRMSA-N -1 2 317.389 3.303 20 0 DGADLM CSc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000280289573 433028642 /nfs/dbraw/zinc/02/86/42/433028642.db2.gz FBTPZKCIERGLQB-GFCCVEGCSA-N -1 2 319.430 3.164 20 0 DGADLM CSc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000280289580 433028900 /nfs/dbraw/zinc/02/89/00/433028900.db2.gz FBTPZKCIERGLQB-LBPRGKRZSA-N -1 2 319.430 3.164 20 0 DGADLM Oc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1Cl ZINC000294302615 434077295 /nfs/dbraw/zinc/07/72/95/434077295.db2.gz PZKWPTBAVYCLMY-CZUORRHYSA-N -1 2 320.864 3.494 20 0 DGADLM CCc1ccc(-n2c(O)c(CC(F)(F)F)[nH]c2=O)cc1Cl ZINC000285893954 434099799 /nfs/dbraw/zinc/09/97/99/434099799.db2.gz DZICCTQLEPAGMQ-SNVBAGLBSA-N -1 2 320.698 3.280 20 0 DGADLM CC[C@@H](C)[C@@H](C)C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000506629193 294273583 /nfs/dbraw/zinc/27/35/83/294273583.db2.gz XQBMFGGHFMCJEO-RKDXNWHRSA-N -1 2 308.332 3.371 20 0 DGADLM COC(=O)[C@H](C)C(=O)c1cccc(-c2ccccc2C(=O)[O-])c1 ZINC000578239755 435070679 /nfs/dbraw/zinc/07/06/79/435070679.db2.gz REHWGFOGSZGWMA-LLVKDONJSA-N -1 2 312.321 3.044 20 0 DGADLM COC(=O)C(C)=C(O)c1cccc(-c2ccccc2C(=O)[O-])c1 ZINC000578239755 435070682 /nfs/dbraw/zinc/07/06/82/435070682.db2.gz REHWGFOGSZGWMA-LLVKDONJSA-N -1 2 312.321 3.044 20 0 DGADLM CC(C)[C@H](C)CC(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000478323244 435295199 /nfs/dbraw/zinc/29/51/99/435295199.db2.gz FAUVWJVNXHCQLS-SECBINFHSA-N -1 2 308.332 3.371 20 0 DGADLM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000663040537 436408412 /nfs/dbraw/zinc/40/84/12/436408412.db2.gz PUIDKQBUXXJFGK-ZDUSSCGKSA-N -1 2 318.156 3.138 20 0 DGADLM Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1ccc(Cl)cc1O ZINC000677588267 548519799 /nfs/dbraw/zinc/51/97/99/548519799.db2.gz CJPOJMFDMIHWAO-UHFFFAOYSA-N -1 2 319.670 3.348 20 0 DGADLM CC(C)[C@H]([NH2+]Cc1ccc(O)c(F)c1)c1nc(C2CC2)no1 ZINC000893345489 618523971 /nfs/dbraw/zinc/52/39/71/618523971.db2.gz LMSQSQKGVPWWHX-AWEZNQCLSA-N -1 2 305.353 3.279 20 0 DGADLM Cc1cc(N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)nc(C2CC2)[nH+]1 ZINC000822209648 628429879 /nfs/dbraw/zinc/42/98/79/628429879.db2.gz QPRWGGAJQSRQDQ-NSHDSACASA-N -1 2 321.388 3.016 20 0 DGADLM CCC[C@H]1CCC[N@H+](Cn2[nH]c(-c3ccccn3)nc2=S)C1 ZINC000121386182 629179994 /nfs/dbraw/zinc/17/99/94/629179994.db2.gz SIUAWFCFNXBKDX-ZDUSSCGKSA-N -1 2 317.462 3.472 20 0 DGADLM O=C([O-])c1csc(NS(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001602564232 1192989105 /nfs/dbraw/zinc/98/91/05/1192989105.db2.gz YYXNURZKIQEZRQ-UHFFFAOYSA-N -1 2 323.395 3.125 20 0 DGADLM C[N@H+](Cc1ccc(O)cc1)Cc1cccc(O)c1Br ZINC001659704205 1196407332 /nfs/dbraw/zinc/40/73/32/1196407332.db2.gz QVVKBJQGJIZIMG-UHFFFAOYSA-N -1 2 322.202 3.492 20 0 DGADLM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2O)C1 ZINC001605845255 972585003 /nfs/dbraw/zinc/58/50/03/972585003.db2.gz NAHJXELFTAJIGA-NKWVEPMBSA-N -1 2 318.156 3.138 20 0 DGADLM O=C([O-])c1ccc(NC(=O)c2cccc(Cl)c2O)c(F)c1 ZINC001595237168 980143222 /nfs/dbraw/zinc/14/32/22/980143222.db2.gz SORQGKANNCMYRN-UHFFFAOYSA-N -1 2 309.680 3.135 20 0 DGADLM O=C(Nc1ccccc1[S-])c1cc(=O)c2cccc(O)c2[nH]1 ZINC001152680070 1088043488 /nfs/dbraw/zinc/04/34/88/1088043488.db2.gz SGBZJBBJVCRWMU-UHFFFAOYSA-N -1 2 312.350 3.187 20 0 DGADLM Oc1cc(F)c(C[N@H+]2CCC[C@H](c3ccccn3)C2)cc1F ZINC001144665928 1095757107 /nfs/dbraw/zinc/75/71/07/1095757107.db2.gz DFRLZUXKGFHUSM-LBPRGKRZSA-N -1 2 304.340 3.445 20 0 DGADLM C[C@@H]1CC[C@@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)C[C@H]1C ZINC001234333225 1098537591 /nfs/dbraw/zinc/53/75/91/1098537591.db2.gz VXFPAYBVJLXDDX-JTNHKYCSSA-N -1 2 300.291 3.362 20 0 DGADLM C[C@@H]1CC[C@@H](Oc2ccc(O[P@](=O)([O-])O)cc2)C[C@H]1C ZINC001234333225 1098537593 /nfs/dbraw/zinc/53/75/93/1098537593.db2.gz VXFPAYBVJLXDDX-JTNHKYCSSA-N -1 2 300.291 3.362 20 0 DGADLM C[C@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)c1ccc(F)cc1 ZINC001234332379 1098537781 /nfs/dbraw/zinc/53/77/81/1098537781.db2.gz PACUOXPVDZYXCL-JTQLQIEISA-N -1 2 312.233 3.437 20 0 DGADLM C[C@H](Oc1ccc(O[P@](=O)([O-])O)cc1)c1ccc(F)cc1 ZINC001234332379 1098537788 /nfs/dbraw/zinc/53/77/88/1098537788.db2.gz PACUOXPVDZYXCL-JTQLQIEISA-N -1 2 312.233 3.437 20 0 DGADLM CCc1cc2c(C[N@@H+]3CCC=C(Cl)C3)cc(=O)oc2cc1O ZINC001195686551 1101175032 /nfs/dbraw/zinc/17/50/32/1101175032.db2.gz JQJWJCXZUFFGHF-UHFFFAOYSA-N -1 2 319.788 3.389 20 0 DGADLM CCCCOc1cccc(F)c1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001243274341 1102627192 /nfs/dbraw/zinc/62/71/92/1102627192.db2.gz WMWGEGBLTFBSKL-UHFFFAOYSA-N -1 2 324.288 3.475 20 0 DGADLM CCCCOc1cccc(F)c1-c1ccc([P@](=O)([O-])O)cc1 ZINC001243274341 1102627196 /nfs/dbraw/zinc/62/71/96/1102627196.db2.gz WMWGEGBLTFBSKL-UHFFFAOYSA-N -1 2 324.288 3.475 20 0 DGADLM CC(C)[C@@H]1CCC2=NN(c3cccc(C(=O)[O-])c3)C(=O)[C@H]2C1 ZINC000634598412 401318739 /nfs/dbraw/zinc/31/87/39/401318739.db2.gz KCKUKUZRSXJEDB-RISCZKNCSA-N -1 2 300.358 3.160 20 0 DGADLM CCc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2cc(C)no2)o1 ZINC000265473620 432703001 /nfs/dbraw/zinc/70/30/01/432703001.db2.gz QDFQCJHZGOGLCE-JSGCOSHPSA-N -1 2 317.389 3.303 20 0 DGADLM COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000177917239 432672936 /nfs/dbraw/zinc/67/29/36/432672936.db2.gz ZQCANPJFARPJBD-NSHDSACASA-N -1 2 321.808 3.346 20 0 DGADLM O=C(NOCC1CC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000297921038 433032256 /nfs/dbraw/zinc/03/22/56/433032256.db2.gz ZFAGBSBIVLVGHI-UHFFFAOYSA-N -1 2 324.384 3.065 20 0 DGADLM Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(O)c2ccccc2c1)C1CC1 ZINC000552928179 434873263 /nfs/dbraw/zinc/87/32/63/434873263.db2.gz VYBBKKZYXYNROK-KRWDZBQOSA-N -1 2 321.380 3.160 20 0 DGADLM Cc1c[nH]c(-c2ccccc2NC(=O)C=Cc2cncc(O)c2)[nH+]1 ZINC000492446354 434983840 /nfs/dbraw/zinc/98/38/40/434983840.db2.gz TYASJODSYYDUHS-SREVYHEPSA-N -1 2 320.352 3.138 20 0 DGADLM Oc1cc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)cc(C(F)(F)F)c1 ZINC000639776515 435410793 /nfs/dbraw/zinc/41/07/93/435410793.db2.gz NEHXLVAWBHITMN-AWEZNQCLSA-N -1 2 311.307 3.471 20 0 DGADLM C[C@@H](NC(=O)c1cccc2[nH]nnc21)c1cccc(C2CC2)c1 ZINC000568475743 435441110 /nfs/dbraw/zinc/44/11/10/435441110.db2.gz GALZIHCVPZHHSO-LLVKDONJSA-N -1 2 306.369 3.326 20 0 DGADLM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000663040523 436408835 /nfs/dbraw/zinc/40/88/35/436408835.db2.gz PUIDKQBUXXJFGK-CYBMUJFWSA-N -1 2 318.156 3.138 20 0 DGADLM O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3ccc(C4CCC4)cc3)C2)[nH]1 ZINC000565884530 315294859 /nfs/dbraw/zinc/29/48/59/315294859.db2.gz JCEHIXKZYVKNRD-INIZCTEOSA-N -1 2 312.417 3.157 20 0 DGADLM CCCCc1cc(NS(=O)(=O)C=Cc2ccc(C)cc2)n[nH]1 ZINC000760324186 621931797 /nfs/dbraw/zinc/93/17/97/621931797.db2.gz WZLVUBVSZCBNTN-KHPPLWFESA-N -1 2 319.430 3.473 20 0 DGADLM Cc1nc2c(c(=O)[nH]1)C[N@@H+](C/C=C\c1ccc(Cl)cc1)C2 ZINC000931314980 656203955 /nfs/dbraw/zinc/20/39/55/656203955.db2.gz KMYMJHSCPXURTN-IHWYPQMZSA-N -1 2 301.777 3.173 20 0 DGADLM Cc1sc(C(=O)[O-])cc1NC(=O)c1cccc(Cl)c1O ZINC001600872956 1192907410 /nfs/dbraw/zinc/90/74/10/1192907410.db2.gz YEJSNINBFXKRKV-UHFFFAOYSA-N -1 2 311.746 3.366 20 0 DGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(C3CC3)cc2)s1 ZINC001608913424 1193313020 /nfs/dbraw/zinc/31/30/20/1193313020.db2.gz MMUCANVDWIDFLD-UHFFFAOYSA-N -1 2 323.395 3.125 20 0 DGADLM Oc1cccc(C[NH2+]Cc2cccc(O)c2Br)c1 ZINC000315021946 1199798215 /nfs/dbraw/zinc/79/82/15/1199798215.db2.gz CBCUUOILTIEDFW-UHFFFAOYSA-N -1 2 308.175 3.150 20 0 DGADLM C[N@H+](Cc1ccc(O)c(F)c1F)[C@@H](CCO)c1ccccc1 ZINC001204335319 1090952008 /nfs/dbraw/zinc/95/20/08/1090952008.db2.gz QDHJBQMEDBSQFH-AWEZNQCLSA-N -1 2 307.340 3.226 20 0 DGADLM COc1ccc(CC[N@H+](C)Cc2c(F)cc(O)cc2F)cc1 ZINC001144554758 1095710371 /nfs/dbraw/zinc/71/03/71/1095710371.db2.gz GJHYSQZGGIFIKB-UHFFFAOYSA-N -1 2 307.340 3.354 20 0 DGADLM C[N@@H+]1CCN(Cc2cc(F)c(O)c(F)c2)[C@@H](c2ccccc2)C1 ZINC000322407178 1096664948 /nfs/dbraw/zinc/66/49/48/1096664948.db2.gz VVPHCLXZKQADRL-QGZVFWFLSA-N -1 2 318.367 3.159 20 0 DGADLM O=C(c1ccccc1)[C@H]1CC[N@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232973571 1098189922 /nfs/dbraw/zinc/18/99/22/1098189922.db2.gz FPFPWLWYOSCTFB-AWEZNQCLSA-N -1 2 317.335 3.375 20 0 DGADLM C[C@@H]1CCC[C@@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)[C@@H]1C ZINC001234331689 1098537707 /nfs/dbraw/zinc/53/77/07/1098537707.db2.gz KAMWFQOPXGMQRT-JTNHKYCSSA-N -1 2 300.291 3.362 20 0 DGADLM C[C@@H]1CCC[C@@H](Oc2ccc(O[P@](=O)([O-])O)cc2)[C@@H]1C ZINC001234331689 1098537710 /nfs/dbraw/zinc/53/77/10/1098537710.db2.gz KAMWFQOPXGMQRT-JTNHKYCSSA-N -1 2 300.291 3.362 20 0 DGADLM COc1cccc([C@H](C)Oc2ccc(O[P@@](=O)([O-])O)cc2)c1 ZINC001234331855 1098538002 /nfs/dbraw/zinc/53/80/02/1098538002.db2.gz KKYHECWHUGRQQB-NSHDSACASA-N -1 2 324.269 3.307 20 0 DGADLM COc1cccc([C@H](C)Oc2ccc(O[P@](=O)([O-])O)cc2)c1 ZINC001234331855 1098538009 /nfs/dbraw/zinc/53/80/09/1098538009.db2.gz KKYHECWHUGRQQB-NSHDSACASA-N -1 2 324.269 3.307 20 0 DGADLM C[C@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)c1cccs1 ZINC001234339685 1098540094 /nfs/dbraw/zinc/54/00/94/1098540094.db2.gz RPXDZCVYFYKQDJ-VIFPVBQESA-N -1 2 300.272 3.360 20 0 DGADLM C[C@H](Oc1ccc(O[P@](=O)([O-])O)cc1)c1cccs1 ZINC001234339685 1098540098 /nfs/dbraw/zinc/54/00/98/1098540098.db2.gz RPXDZCVYFYKQDJ-VIFPVBQESA-N -1 2 300.272 3.360 20 0 DGADLM COc1cc(F)c(C(C)C)cc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001241788503 1101706648 /nfs/dbraw/zinc/70/66/48/1101706648.db2.gz SKAJMZAPYQYGSF-UHFFFAOYSA-N -1 2 324.288 3.428 20 0 DGADLM COc1cc(F)c(C(C)C)cc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001241788503 1101706659 /nfs/dbraw/zinc/70/66/59/1101706659.db2.gz SKAJMZAPYQYGSF-UHFFFAOYSA-N -1 2 324.288 3.428 20 0 DGADLM CCCCOc1ccc(F)cc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001243239664 1102609160 /nfs/dbraw/zinc/60/91/60/1102609160.db2.gz NWOOBDXQGXDHNL-UHFFFAOYSA-N -1 2 324.288 3.475 20 0 DGADLM CCCCOc1ccc(F)cc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001243239664 1102609167 /nfs/dbraw/zinc/60/91/67/1102609167.db2.gz NWOOBDXQGXDHNL-UHFFFAOYSA-N -1 2 324.288 3.475 20 0 DGADLM Cc1nc(Cl)sc1S(=O)(=O)Nc1ccccc1[S-] ZINC001201756477 1102719084 /nfs/dbraw/zinc/71/90/84/1102719084.db2.gz UAZKBPNROOCORD-UHFFFAOYSA-N -1 2 320.848 3.194 20 0 DGADLM Cc1ccc(-c2cc(=O)n(Cc3ccc(C(=O)[O-])cc3)[nH]2)cc1 ZINC001245919052 1104307638 /nfs/dbraw/zinc/30/76/38/1104307638.db2.gz JJAYGIWIWDBZQV-UHFFFAOYSA-N -1 2 308.337 3.311 20 0 DGADLM O=S(=O)(Nc1cc(Cl)c(Cl)c(Cl)c1[O-])C1CC1 ZINC001259276715 1107114533 /nfs/dbraw/zinc/11/45/33/1107114533.db2.gz ATPRENCSLNXARI-UHFFFAOYSA-N -1 2 316.593 3.257 20 0 DGADLM Oc1cc(F)cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000186185469 432566645 /nfs/dbraw/zinc/56/66/45/432566645.db2.gz WMVNAVKSFCEVPM-KRWDZBQOSA-N -1 2 305.324 3.244 20 0 DGADLM COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000279072854 432932657 /nfs/dbraw/zinc/93/26/57/432932657.db2.gz KMXXRXOJKOKVQI-STQMWFEESA-N -1 2 301.390 3.219 20 0 DGADLM CCOc1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc(Cl)c1O ZINC000297887883 433029751 /nfs/dbraw/zinc/02/97/51/433029751.db2.gz QVVCIPNLTFRBEE-KBPBESRZSA-N -1 2 311.809 3.198 20 0 DGADLM COCC[N@@H+](CCc1ccccc1)Cc1c(F)ccc(O)c1F ZINC000507388035 294296435 /nfs/dbraw/zinc/29/64/35/294296435.db2.gz IDRWGSPNKKASDL-UHFFFAOYSA-N -1 2 321.367 3.362 20 0 DGADLM Cc1noc(C2CC[NH+](Cc3cccc(O)c3Cl)CC2)n1 ZINC000295336321 434317401 /nfs/dbraw/zinc/31/74/01/434317401.db2.gz MJKPAZHQNOJNPH-UHFFFAOYSA-N -1 2 307.781 3.117 20 0 DGADLM C/C=C\c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000341047336 434510483 /nfs/dbraw/zinc/51/04/83/434510483.db2.gz OBQWIBMYGVTAKI-IHWYPQMZSA-N -1 2 323.395 3.280 20 0 DGADLM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc(F)c(O)c(F)c1 ZINC001600155159 1192797079 /nfs/dbraw/zinc/79/70/79/1192797079.db2.gz LIRRFBKNWSIJOL-UHFFFAOYSA-N -1 2 321.279 3.238 20 0 DGADLM O=C([O-])c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC001608881944 1193309783 /nfs/dbraw/zinc/30/97/83/1193309783.db2.gz ZVMTUZZOSMDWGO-UHFFFAOYSA-N -1 2 319.792 3.072 20 0 DGADLM O=C([O-])c1coc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC001610866834 1193413875 /nfs/dbraw/zinc/41/38/75/1193413875.db2.gz TXAOTYQCMNSJBF-UHFFFAOYSA-N -1 2 316.096 3.243 20 0 DGADLM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC001602853186 971697621 /nfs/dbraw/zinc/69/76/21/971697621.db2.gz MXZTULHVBVKYEF-VIFPVBQESA-N -1 2 320.172 3.384 20 0 DGADLM O=[P@@]([O-])(O)c1ccc(N[C@@H](c2ccccc2)C2CC2)cc1 ZINC001161961257 1089493001 /nfs/dbraw/zinc/49/30/01/1089493001.db2.gz NJFBCRUBAPRYCY-INIZCTEOSA-N -1 2 303.298 3.053 20 0 DGADLM O=[P@]([O-])(O)c1ccc(N[C@@H](c2ccccc2)C2CC2)cc1 ZINC001161961257 1089493012 /nfs/dbraw/zinc/49/30/12/1089493012.db2.gz NJFBCRUBAPRYCY-INIZCTEOSA-N -1 2 303.298 3.053 20 0 DGADLM C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(F)c(O)c(F)c1 ZINC001140988164 1092096525 /nfs/dbraw/zinc/09/65/25/1092096525.db2.gz QCSWVGCNKCTHAL-UHFFFAOYSA-N -1 2 321.323 3.074 20 0 DGADLM COC(=O)c1nc2ccc(NC(C)(C)c3ccc(C)cc3)nc2[nH]1 ZINC001168805109 1092373441 /nfs/dbraw/zinc/37/34/41/1092373441.db2.gz VXYQDNUNVQWJIG-UHFFFAOYSA-N -1 2 324.384 3.400 20 0 DGADLM COc1ccc(C[N@@H+](C)Cc2cc(F)c(O)cc2F)cc1OC ZINC001144667695 1095756655 /nfs/dbraw/zinc/75/66/55/1095756655.db2.gz YMJSPSRBXZMYOD-UHFFFAOYSA-N -1 2 323.339 3.320 20 0 DGADLM C[N@H+](Cc1ccc(Cl)c(O)c1)Cc1cccc2c1OCO2 ZINC001231735180 1097826806 /nfs/dbraw/zinc/82/68/06/1097826806.db2.gz JDTLMUKLGVLESF-UHFFFAOYSA-N -1 2 305.761 3.406 20 0 DGADLM O=[P@@]([O-])(O)Oc1ccc(O[C@H](c2cccnc2)C2CC2)cc1 ZINC001234330988 1098537803 /nfs/dbraw/zinc/53/78/03/1098537803.db2.gz AIZVCKDUGWWLIR-HNNXBMFYSA-N -1 2 321.269 3.083 20 0 DGADLM O=[P@]([O-])(O)Oc1ccc(O[C@H](c2cccnc2)C2CC2)cc1 ZINC001234330988 1098537808 /nfs/dbraw/zinc/53/78/08/1098537808.db2.gz AIZVCKDUGWWLIR-HNNXBMFYSA-N -1 2 321.269 3.083 20 0 DGADLM O=[P@@]([O-])(O)c1ccc(-c2cncc(-c3ccccc3)c2)cc1 ZINC001242913382 1102413194 /nfs/dbraw/zinc/41/31/94/1102413194.db2.gz GADMMCSLNYOMLI-UHFFFAOYSA-N -1 2 311.277 3.219 20 0 DGADLM O=[P@]([O-])(O)c1ccc(-c2cncc(-c3ccccc3)c2)cc1 ZINC001242913382 1102413200 /nfs/dbraw/zinc/41/32/00/1102413200.db2.gz GADMMCSLNYOMLI-UHFFFAOYSA-N -1 2 311.277 3.219 20 0 DGADLM O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001243977363 1103101769 /nfs/dbraw/zinc/10/17/69/1103101769.db2.gz CGWIYQDNHRWHFW-UHFFFAOYSA-N -1 2 308.293 3.140 20 0 DGADLM Cc1ccc(C(=O)[O-])cc1N1N=C(c2ccc(F)cc2)CC1=O ZINC001245917116 1104308426 /nfs/dbraw/zinc/30/84/26/1104308426.db2.gz FLIYXYYUJXAKRW-UHFFFAOYSA-N -1 2 312.300 3.391 20 0 DGADLM O=C([O-])c1cccc(-n2[nH]c(-c3cc(F)cc(F)c3)cc2=O)c1 ZINC001245921887 1104312146 /nfs/dbraw/zinc/31/21/46/1104312146.db2.gz VXKMVGVDQCAKOX-UHFFFAOYSA-N -1 2 316.263 3.221 20 0 DGADLM CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(O)c1F ZINC000179147741 432044649 /nfs/dbraw/zinc/04/46/49/432044649.db2.gz SJCXBYPHXVXQJK-UHFFFAOYSA-N -1 2 313.332 3.082 20 0 DGADLM C[C@H]1CSCC[N@@H+]1Cc1cc(O)ccc1Br ZINC000179664850 432066400 /nfs/dbraw/zinc/06/64/00/432066400.db2.gz FLWXFASHKYZXES-VIFPVBQESA-N -1 2 302.237 3.092 20 0 DGADLM Oc1cc(F)cc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000186240622 432572496 /nfs/dbraw/zinc/57/24/96/432572496.db2.gz ZWPVVDUXLATMEP-LJQANCHMSA-N -1 2 313.372 3.205 20 0 DGADLM COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000279072848 432932519 /nfs/dbraw/zinc/93/25/19/432932519.db2.gz KMXXRXOJKOKVQI-OLZOCXBDSA-N -1 2 301.390 3.219 20 0 DGADLM CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2nc(=O)c3sccc3[nH]2)C1(C)C ZINC000298032883 433042338 /nfs/dbraw/zinc/04/23/38/433042338.db2.gz CKVCNEFQWRGRDM-VXGBXAGGSA-N -1 2 321.446 3.079 20 0 DGADLM O=C(N[C@H]1CCc2sc(Cl)cc21)c1cccc2[nH]nnc21 ZINC000567666833 435340400 /nfs/dbraw/zinc/34/04/00/435340400.db2.gz SEXYLUJYEHRMNE-VIFPVBQESA-N -1 2 318.789 3.090 20 0 DGADLM O=C(CCn1c2ccccc2[nH+]c1C1CC1)Nc1ncccc1O ZINC000544024551 314168910 /nfs/dbraw/zinc/16/89/10/314168910.db2.gz HSSXGGJODWRKRN-UHFFFAOYSA-N -1 2 322.368 3.043 20 0 DGADLM Oc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]2c2cccnc2)o1 ZINC000878309588 624242229 /nfs/dbraw/zinc/24/22/29/624242229.db2.gz QFVACKVBORVNIS-HNNXBMFYSA-N -1 2 322.368 3.174 20 0 DGADLM CC(C)[C@@H](Nc1ccc([P@@](=O)([O-])O)cc1)c1ccc(F)cc1 ZINC001170066621 1081984232 /nfs/dbraw/zinc/98/42/32/1081984232.db2.gz LWJNEIFPSFWXJD-MRXNPFEDSA-N -1 2 323.304 3.438 20 0 DGADLM CC(C)[C@@H](Nc1ccc([P@](=O)([O-])O)cc1)c1ccc(F)cc1 ZINC001170066621 1081984234 /nfs/dbraw/zinc/98/42/34/1081984234.db2.gz LWJNEIFPSFWXJD-MRXNPFEDSA-N -1 2 323.304 3.438 20 0 DGADLM CC(C)c1ccc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)c(O)c1 ZINC001156891767 1089733054 /nfs/dbraw/zinc/73/30/54/1089733054.db2.gz SHGDJZLVNQBBLE-UHFFFAOYSA-N -1 2 313.401 3.048 20 0 DGADLM O=[P@@]([O-])(O)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1 ZINC001222336416 1095559155 /nfs/dbraw/zinc/55/91/55/1095559155.db2.gz OYUJHLLFCQAPRQ-UHFFFAOYSA-N -1 2 318.187 3.055 20 0 DGADLM O=[P@]([O-])(O)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1 ZINC001222336416 1095559163 /nfs/dbraw/zinc/55/91/63/1095559163.db2.gz OYUJHLLFCQAPRQ-UHFFFAOYSA-N -1 2 318.187 3.055 20 0 DGADLM C[N@H+]1CCN(Cc2cc(F)c(O)cc2F)C[C@@H]1c1ccccc1 ZINC001144667126 1095755982 /nfs/dbraw/zinc/75/59/82/1095755982.db2.gz UHLPERGDNQBXKH-QGZVFWFLSA-N -1 2 318.367 3.159 20 0 DGADLM Oc1cc(F)c(C[N@H+]2CCC[C@@H](c3ccccn3)C2)cc1F ZINC001144665925 1095758293 /nfs/dbraw/zinc/75/82/93/1095758293.db2.gz DFRLZUXKGFHUSM-GFCCVEGCSA-N -1 2 304.340 3.445 20 0 DGADLM O=C([O-])c1cc(Nc2ccccc2-n2cc[nH+]c2)cc(C(=O)[O-])c1 ZINC001176238870 1098292999 /nfs/dbraw/zinc/29/29/99/1098292999.db2.gz UQOPQIVRKSYBKJ-UHFFFAOYSA-N -1 2 323.308 3.012 20 0 DGADLM O=[P@@]([O-])(O)Oc1ccc(O[C@H]2CCOc3ccccc32)cc1 ZINC001234332387 1098537657 /nfs/dbraw/zinc/53/76/57/1098537657.db2.gz PEBABMKHHHPQSI-HNNXBMFYSA-N -1 2 322.253 3.061 20 0 DGADLM O=[P@]([O-])(O)Oc1ccc(O[C@H]2CCOc3ccccc32)cc1 ZINC001234332387 1098537659 /nfs/dbraw/zinc/53/76/59/1098537659.db2.gz PEBABMKHHHPQSI-HNNXBMFYSA-N -1 2 322.253 3.061 20 0 DGADLM COc1ccc([C@@H](C)Oc2ccc(O[P@@](=O)([O-])O)cc2)cc1 ZINC001234331020 1098537686 /nfs/dbraw/zinc/53/76/86/1098537686.db2.gz ATGLYIHZMOVAJN-LLVKDONJSA-N -1 2 324.269 3.307 20 0 DGADLM COc1ccc([C@@H](C)Oc2ccc(O[P@](=O)([O-])O)cc2)cc1 ZINC001234331020 1098537689 /nfs/dbraw/zinc/53/76/89/1098537689.db2.gz ATGLYIHZMOVAJN-LLVKDONJSA-N -1 2 324.269 3.307 20 0 DGADLM O=[P@@]([O-])(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC001235938424 1099273246 /nfs/dbraw/zinc/27/32/46/1099273246.db2.gz PPLSAEFWGGYDPD-UHFFFAOYSA-N -1 2 318.187 3.055 20 0 DGADLM O=[P@]([O-])(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC001235938424 1099273252 /nfs/dbraw/zinc/27/32/52/1099273252.db2.gz PPLSAEFWGGYDPD-UHFFFAOYSA-N -1 2 318.187 3.055 20 0 DGADLM O=[P@@]([O-])(O)c1ccc(-c2cccnc2-c2ccccc2)cc1 ZINC001239882229 1100785681 /nfs/dbraw/zinc/78/56/81/1100785681.db2.gz FNWUZCOZEGSFMQ-UHFFFAOYSA-N -1 2 311.277 3.219 20 0 DGADLM O=[P@]([O-])(O)c1ccc(-c2cccnc2-c2ccccc2)cc1 ZINC001239882229 1100785684 /nfs/dbraw/zinc/78/56/84/1100785684.db2.gz FNWUZCOZEGSFMQ-UHFFFAOYSA-N -1 2 311.277 3.219 20 0 DGADLM O=C(N=c1s[n-]nc1-c1ccccc1)NC(=O)c1ccccc1 ZINC001202442754 1102991705 /nfs/dbraw/zinc/99/17/05/1102991705.db2.gz VEYKJNVTKQVZDW-UHFFFAOYSA-N -1 2 324.365 3.167 20 0 DGADLM O=C([O-])c1ccc(CN2N=C(c3ccsc3)CC2=O)cc1 ZINC001245949441 1104336309 /nfs/dbraw/zinc/33/63/09/1104336309.db2.gz RZESKBDZSBARSR-UHFFFAOYSA-N -1 2 300.339 3.064 20 0 DGADLM Cc1ccc(C(=O)[O-])cc1-n1[nH]c(-c2ccsc2)cc1=O ZINC001245949420 1104336772 /nfs/dbraw/zinc/33/67/72/1104336772.db2.gz RNFZGXYBLFTTFB-UHFFFAOYSA-N -1 2 300.339 3.313 20 0 DGADLM CCOc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2CC)cc(Cl)c1O ZINC000459286897 243317008 /nfs/dbraw/zinc/31/70/08/243317008.db2.gz IEUUGFZTBOQFIC-DGCLKSJQSA-N -1 2 313.825 3.444 20 0 DGADLM CCOc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2CC)cc(Cl)c1O ZINC000459286893 243317128 /nfs/dbraw/zinc/31/71/28/243317128.db2.gz IEUUGFZTBOQFIC-AAEUAGOBSA-N -1 2 313.825 3.444 20 0 DGADLM Oc1ccc(F)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1F ZINC000294416508 224018641 /nfs/dbraw/zinc/01/86/41/224018641.db2.gz WPJWQQYSOGBNBJ-XHDPSFHLSA-N -1 2 323.339 3.352 20 0 DGADLM Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)n1 ZINC000192788562 432414166 /nfs/dbraw/zinc/41/41/66/432414166.db2.gz XZUILWMGQOADRE-RYUDHWBXSA-N -1 2 319.355 3.319 20 0 DGADLM COc1ccc(C[N@H+](C)[C@H]2CC2(C)C)c(Br)c1O ZINC000426543323 433528046 /nfs/dbraw/zinc/52/80/46/433528046.db2.gz INAHNPBEWRASKA-NSHDSACASA-N -1 2 314.223 3.394 20 0 DGADLM Oc1cc(F)cc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC000351998237 433847841 /nfs/dbraw/zinc/84/78/41/433847841.db2.gz YSZSYJPNRNTIPP-UHFFFAOYSA-N -1 2 323.371 3.275 20 0 DGADLM Oc1ccc(F)c(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1F ZINC000293977489 433947213 /nfs/dbraw/zinc/94/72/13/433947213.db2.gz RAOOZRXEPMEVFY-GDBMZVCRSA-N -1 2 309.356 3.204 20 0 DGADLM O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)C1CCCCC1 ZINC000478313064 435294874 /nfs/dbraw/zinc/29/48/74/435294874.db2.gz JYOPBVHYZZBLKU-UHFFFAOYSA-N -1 2 306.316 3.269 20 0 DGADLM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000663039389 436408757 /nfs/dbraw/zinc/40/87/57/436408757.db2.gz JZALKIVOJHYDSB-SECBINFHSA-N -1 2 320.172 3.384 20 0 DGADLM COc1cnc([C@H]2CCC[N@H+]2Cc2cc(C)ccc2C)[nH]c1=O ZINC000934279683 661693117 /nfs/dbraw/zinc/69/31/17/661693117.db2.gz OIDQJHYGFITVDU-OAHLLOKOSA-N -1 2 313.401 3.145 20 0 DGADLM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cccc(Cl)c2O)cc1 ZINC001589520988 987163718 /nfs/dbraw/zinc/16/37/18/987163718.db2.gz DWWPAKHUADXKCZ-VIFPVBQESA-N -1 2 319.744 3.486 20 0 DGADLM Oc1cc(F)c(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)cc1F ZINC001144648809 1095748374 /nfs/dbraw/zinc/74/83/74/1095748374.db2.gz YBTVUBQCJYEJEU-LBPRGKRZSA-N -1 2 313.241 3.394 20 0 DGADLM Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(O)c(F)c(F)c3)C2)nc1 ZINC001232974153 1098189617 /nfs/dbraw/zinc/18/96/17/1098189617.db2.gz QACWALQUPKLXPO-CYBMUJFWSA-N -1 2 320.339 3.027 20 0 DGADLM CCCCOc1ncc(-c2ccc([P@@](=O)([O-])O)cc2)cc1C ZINC001238970510 1100565672 /nfs/dbraw/zinc/56/56/72/1100565672.db2.gz COSAGXNDHMZRNU-UHFFFAOYSA-N -1 2 321.313 3.039 20 0 DGADLM CCCCOc1ncc(-c2ccc([P@](=O)([O-])O)cc2)cc1C ZINC001238970510 1100565675 /nfs/dbraw/zinc/56/56/75/1100565675.db2.gz COSAGXNDHMZRNU-UHFFFAOYSA-N -1 2 321.313 3.039 20 0 DGADLM CCCCOc1cccc(-c2ccc([P@@](=O)([O-])O)cc2)c1 ZINC001241294855 1101359856 /nfs/dbraw/zinc/35/98/56/1101359856.db2.gz QODBKGAYUNHUOG-UHFFFAOYSA-N -1 2 306.298 3.336 20 0 DGADLM CCCCOc1cccc(-c2ccc([P@](=O)([O-])O)cc2)c1 ZINC001241294855 1101359868 /nfs/dbraw/zinc/35/98/68/1101359868.db2.gz QODBKGAYUNHUOG-UHFFFAOYSA-N -1 2 306.298 3.336 20 0 DGADLM CC(C)Oc1cccc(F)c1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001243264747 1102622269 /nfs/dbraw/zinc/62/22/69/1102622269.db2.gz IPBAPECCJOQJOS-UHFFFAOYSA-N -1 2 310.261 3.083 20 0 DGADLM CC(C)Oc1cccc(F)c1-c1ccc([P@](=O)([O-])O)cc1 ZINC001243264747 1102622272 /nfs/dbraw/zinc/62/22/72/1102622272.db2.gz IPBAPECCJOQJOS-UHFFFAOYSA-N -1 2 310.261 3.083 20 0 DGADLM Cc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cc1OC(C)C ZINC001244447379 1103445250 /nfs/dbraw/zinc/44/52/50/1103445250.db2.gz UTHCJFQLAURMQP-UHFFFAOYSA-N -1 2 306.298 3.252 20 0 DGADLM Cc1ccc(-c2ccc([P@](=O)([O-])O)cc2)cc1OC(C)C ZINC001244447379 1103445257 /nfs/dbraw/zinc/44/52/57/1103445257.db2.gz UTHCJFQLAURMQP-UHFFFAOYSA-N -1 2 306.298 3.252 20 0 DGADLM Oc1ccc(F)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1F ZINC000294416473 224018416 /nfs/dbraw/zinc/01/84/16/224018416.db2.gz WPJWQQYSOGBNBJ-IAQYHMDHSA-N -1 2 323.339 3.352 20 0 DGADLM CC[C@H]1C[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000356051882 266268638 /nfs/dbraw/zinc/26/86/38/266268638.db2.gz HWFJGMKCLKZWQL-YGRLFVJLSA-N -1 2 303.324 3.410 20 0 DGADLM C[C@H](C(=O)Nc1nc(-c2ccccc2F)n[nH]1)c1ccccc1 ZINC000163120534 432843996 /nfs/dbraw/zinc/84/39/96/432843996.db2.gz GAPIWZVWQCVFBQ-NSHDSACASA-N -1 2 310.332 3.353 20 0 DGADLM COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000279072845 432932382 /nfs/dbraw/zinc/93/23/82/432932382.db2.gz KMXXRXOJKOKVQI-CHWSQXEVSA-N -1 2 301.390 3.219 20 0 DGADLM CN(C)[C@H](C[NH2+]Cc1c(F)ccc(O)c1F)c1ccsc1 ZINC000352080342 433901559 /nfs/dbraw/zinc/90/15/59/433901559.db2.gz XLZODJOLSPPBNR-CYBMUJFWSA-N -1 2 312.385 3.124 20 0 DGADLM Oc1ccc(F)c(C[N@@H+]2CCCN(c3ccccc3)CC2)c1F ZINC000507731547 294308994 /nfs/dbraw/zinc/30/89/94/294308994.db2.gz JWJUUDVBZFQWCB-UHFFFAOYSA-N -1 2 318.367 3.383 20 0 DGADLM Cc1nc2c(c(=O)[nH]1)C[N@@H+](C/C=C/c1ccc(Cl)cc1)C2 ZINC000931314981 656204094 /nfs/dbraw/zinc/20/40/94/656204094.db2.gz KMYMJHSCPXURTN-NSCUHMNNSA-N -1 2 301.777 3.173 20 0 DGADLM COc1cnc([C@H]2CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)[nH]c1=O ZINC000934270122 661692910 /nfs/dbraw/zinc/69/29/10/661692910.db2.gz NUZRDPZJGHJFAF-OAHLLOKOSA-N -1 2 324.384 3.009 20 0 DGADLM Cc1ccc(NC(=O)c2cccc(Cl)c2O)cc1C(=O)[O-] ZINC001600457440 1192856438 /nfs/dbraw/zinc/85/64/38/1192856438.db2.gz HAPRIBJHLVZADG-UHFFFAOYSA-N -1 2 305.717 3.305 20 0 DGADLM COc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(Cl)c1O ZINC001610286050 1193381258 /nfs/dbraw/zinc/38/12/58/1193381258.db2.gz CCPIQHHBDWCHOW-UHFFFAOYSA-N -1 2 321.716 3.005 20 0 DGADLM COC(=O)Nc1cccc(C[NH2+]Cc2ccc([O-])c(F)c2F)c1 ZINC001560824071 1189388437 /nfs/dbraw/zinc/38/84/37/1189388437.db2.gz YUWRSHHRGJRNCP-UHFFFAOYSA-N -1 2 322.311 3.139 20 0 DGADLM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cccc(Cl)c2O)cc1 ZINC001589520987 987163697 /nfs/dbraw/zinc/16/36/97/987163697.db2.gz DWWPAKHUADXKCZ-SECBINFHSA-N -1 2 319.744 3.486 20 0 DGADLM O=c1ccc2c([nH]1)CC[C@H](Nc1cc([S-])cc(S)c1)C2 ZINC001163561479 1090211950 /nfs/dbraw/zinc/21/19/50/1090211950.db2.gz CFDYNYFLCHMBQB-JTQLQIEISA-N -1 2 304.440 3.334 20 0 DGADLM CCOC(=O)c1nnsc1Nc1ccc2c[nH+]ccc2c1 ZINC001210046330 1093026470 /nfs/dbraw/zinc/02/64/70/1093026470.db2.gz DNUFAGWXILTLPJ-UHFFFAOYSA-N -1 2 300.343 3.007 20 0 DGADLM O=C1c2ccccc2[C@@H]2C[N@H+](Cc3cc(F)c(O)cc3F)C[C@H]12 ZINC001144648249 1095748442 /nfs/dbraw/zinc/74/84/42/1095748442.db2.gz RMBPJZZWYXCGSL-KBPBESRZSA-N -1 2 315.319 3.082 20 0 DGADLM Oc1cc(F)c(C[NH+]2CCC(Oc3ccccn3)CC2)cc1F ZINC001144667124 1095756451 /nfs/dbraw/zinc/75/64/51/1095756451.db2.gz UFOBRFJAKLXJIJ-UHFFFAOYSA-N -1 2 320.339 3.109 20 0 DGADLM [S-]c1cc(S)cc(NCc2ccc(-n3cccn3)nc2)c1 ZINC001171433981 1096773785 /nfs/dbraw/zinc/77/37/85/1096773785.db2.gz FEBXWDUPLKKNEU-UHFFFAOYSA-N -1 2 314.439 3.457 20 0 DGADLM C[C@@H](Oc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)C1=CC=C[CH]1 ZINC001229621197 1097354426 /nfs/dbraw/zinc/35/44/26/1097354426.db2.gz ASVDNEGEOICSSJ-ABAIWWIYSA-N -1 2 314.386 3.048 20 0 DGADLM Oc1cc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc(F)c1F ZINC001232973532 1098190255 /nfs/dbraw/zinc/19/02/55/1098190255.db2.gz DLVIWBDPEHRISN-AWEZNQCLSA-N -1 2 323.314 3.463 20 0 DGADLM C[C@@H]1CCC[C@@H](C)C1Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234331911 1098538056 /nfs/dbraw/zinc/53/80/56/1098538056.db2.gz KVZGAAKVSKSJPN-GHMZBOCLSA-N -1 2 300.291 3.362 20 0 DGADLM C[C@@H]1CCC[C@@H](C)C1Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234331911 1098538061 /nfs/dbraw/zinc/53/80/61/1098538061.db2.gz KVZGAAKVSKSJPN-GHMZBOCLSA-N -1 2 300.291 3.362 20 0 DGADLM C[C@@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)c1cccs1 ZINC001234339681 1098539731 /nfs/dbraw/zinc/53/97/31/1098539731.db2.gz RPXDZCVYFYKQDJ-SECBINFHSA-N -1 2 300.272 3.360 20 0 DGADLM C[C@@H](Oc1ccc(O[P@](=O)([O-])O)cc1)c1cccs1 ZINC001234339681 1098539737 /nfs/dbraw/zinc/53/97/37/1098539737.db2.gz RPXDZCVYFYKQDJ-SECBINFHSA-N -1 2 300.272 3.360 20 0 DGADLM COc1cccc(C[N@H+](C)Cc2cc(O)cc(F)c2)c1OC ZINC001237283387 1100059359 /nfs/dbraw/zinc/05/93/59/1100059359.db2.gz KAPMXEUTGHFHDN-UHFFFAOYSA-N -1 2 305.349 3.181 20 0 DGADLM O=S(=O)(Nc1ccc2nccn2c1)c1ccc(C2CC2)cc1 ZINC001190468957 1100279197 /nfs/dbraw/zinc/27/91/97/1100279197.db2.gz CDPVGFDPSULOIO-UHFFFAOYSA-N -1 2 313.382 3.013 20 0 DGADLM Cc1cc(C(F)(F)F)ccc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001242130774 1101929362 /nfs/dbraw/zinc/92/93/62/1101929362.db2.gz VJQDXCDDJFFSOI-UHFFFAOYSA-N -1 2 316.215 3.484 20 0 DGADLM Cc1cc(C(F)(F)F)ccc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001242130774 1101929372 /nfs/dbraw/zinc/92/93/72/1101929372.db2.gz VJQDXCDDJFFSOI-UHFFFAOYSA-N -1 2 316.215 3.484 20 0 DGADLM [S-]c1cc(S)cc(-c2cncc(N3CCOCC3)c2)c1 ZINC001245270245 1103953733 /nfs/dbraw/zinc/95/37/33/1103953733.db2.gz DVFLQXAXSXJKBE-UHFFFAOYSA-N -1 2 304.440 3.163 20 0 DGADLM CCOc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2CC)cc(Cl)c1O ZINC000459286900 243317054 /nfs/dbraw/zinc/31/70/54/243317054.db2.gz IEUUGFZTBOQFIC-YPMHNXCESA-N -1 2 313.825 3.444 20 0 DGADLM OC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(O)ccc1Cl ZINC000625263090 401077086 /nfs/dbraw/zinc/07/70/86/401077086.db2.gz XIIOCVRGUULFCA-QGZVFWFLSA-N -1 2 303.789 3.137 20 0 DGADLM CC(C)c1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c(O)c1 ZINC000263712102 432567153 /nfs/dbraw/zinc/56/71/53/432567153.db2.gz KJFRTKXFTSOSMW-UHFFFAOYSA-N -1 2 313.401 3.189 20 0 DGADLM CCOc1cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cc(Cl)c1O ZINC000297887887 433029399 /nfs/dbraw/zinc/02/93/99/433029399.db2.gz QVVCIPNLTFRBEE-KGLIPLIRSA-N -1 2 311.809 3.198 20 0 DGADLM CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc(O)c(C)c1 ZINC000281909276 433424947 /nfs/dbraw/zinc/42/49/47/433424947.db2.gz URGHBJYNCAGPGV-OAHLLOKOSA-N -1 2 313.401 3.284 20 0 DGADLM COc1ccc(C[N@H+](C)[C@@H]2CC2(C)C)c(Br)c1O ZINC000426543322 433528075 /nfs/dbraw/zinc/52/80/75/433528075.db2.gz INAHNPBEWRASKA-LLVKDONJSA-N -1 2 314.223 3.394 20 0 DGADLM C[C@H](CNc1nc(-c2ccccc2)ns1)[N@@H+]1CCCC[C@@H]1C ZINC000462930735 434937812 /nfs/dbraw/zinc/93/78/12/434937812.db2.gz UAWLPIMNEZRFAY-UONOGXRCSA-N -1 2 316.474 3.302 20 0 DGADLM O=C(NCc1ccc2sccc2c1)c1cccc2[nH]nnc21 ZINC000578593016 435094039 /nfs/dbraw/zinc/09/40/39/435094039.db2.gz NPXJAPOICYNPHX-UHFFFAOYSA-N -1 2 308.366 3.103 20 0 DGADLM Cc1ccc2nc([C@@H]3CCC[N@@H+]3Cc3ncccc3O)[nH]c2c1 ZINC000569116083 435506360 /nfs/dbraw/zinc/50/63/60/435506360.db2.gz FTURKEYPGHKQJD-INIZCTEOSA-N -1 2 308.385 3.309 20 0 DGADLM Cc1ccc2nc([C@@H]3CCC[N@H+]3Cc3ncccc3O)[nH]c2c1 ZINC000569116083 435506363 /nfs/dbraw/zinc/50/63/63/435506363.db2.gz FTURKEYPGHKQJD-INIZCTEOSA-N -1 2 308.385 3.309 20 0 DGADLM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2[nH]nnc21 ZINC000542821127 314100997 /nfs/dbraw/zinc/10/09/97/314100997.db2.gz SFXCLVTXUVVRQT-OLZOCXBDSA-N -1 2 300.406 3.293 20 0 DGADLM CC(C)(C)[C@@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000824077328 628625358 /nfs/dbraw/zinc/62/53/58/628625358.db2.gz ASXRCSGLEHHQFS-GFCCVEGCSA-N -1 2 322.416 3.287 20 0 DGADLM Cc1ccc(NC(=O)c2cc(F)c(O)c(F)c2)c(C(=O)[O-])c1C ZINC001600456489 1192856075 /nfs/dbraw/zinc/85/60/75/1192856075.db2.gz GQSCOWBTUDZWRW-UHFFFAOYSA-N -1 2 321.279 3.238 20 0 DGADLM O=C([O-])CC1(C(=O)Nc2cc(Cl)cc(Cl)c2O)CCC1 ZINC001594976850 950928598 /nfs/dbraw/zinc/92/85/98/950928598.db2.gz SSTIOSYLNJJIAL-UHFFFAOYSA-N -1 2 318.156 3.283 20 0 DGADLM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC001589220247 956767016 /nfs/dbraw/zinc/76/70/16/956767016.db2.gz ZMSJCJDOWSFGBR-CYBMUJFWSA-N -1 2 318.156 3.138 20 0 DGADLM CC(C)[C@@H]1CCC2=NN(c3ccc(F)c(C(=O)[O-])c3)C(=O)[C@H]2C1 ZINC001591081987 991596333 /nfs/dbraw/zinc/59/63/33/991596333.db2.gz OLHRFIMKEQHPLM-MFKMUULPSA-N -1 2 318.348 3.299 20 0 DGADLM C[N@H+]1CCN(Cc2cc(F)c(O)cc2F)C[C@H]1c1ccccc1 ZINC001144667125 1095756247 /nfs/dbraw/zinc/75/62/47/1095756247.db2.gz UHLPERGDNQBXKH-KRWDZBQOSA-N -1 2 318.367 3.159 20 0 DGADLM O=C1c2ccccc2[C@@H]2C[N@H+](Cc3cc(O)c(F)c(F)c3)C[C@H]12 ZINC001232968452 1098186651 /nfs/dbraw/zinc/18/66/51/1098186651.db2.gz BQKVAJGPQKTEDV-KBPBESRZSA-N -1 2 315.319 3.082 20 0 DGADLM O=C([O-])c1cc(Nc2cccc(-n3cc[nH+]c3)c2)cc(C(=O)[O-])c1 ZINC001176241600 1098294184 /nfs/dbraw/zinc/29/41/84/1098294184.db2.gz NHEHXHLMUSRTBB-UHFFFAOYSA-N -1 2 323.308 3.012 20 0 DGADLM C[C@@H]1CC(Oc2ccc(O[P@@](=O)([O-])O)cc2)C[C@@H](C)C1 ZINC001234333144 1098537907 /nfs/dbraw/zinc/53/79/07/1098537907.db2.gz SXEYLYXFDGCXCL-QWRGUYRKSA-N -1 2 300.291 3.362 20 0 DGADLM C[C@@H]1CC(Oc2ccc(O[P@](=O)([O-])O)cc2)C[C@@H](C)C1 ZINC001234333144 1098537914 /nfs/dbraw/zinc/53/79/14/1098537914.db2.gz SXEYLYXFDGCXCL-QWRGUYRKSA-N -1 2 300.291 3.362 20 0 DGADLM COc1ccccc1[C@@H](C)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234334564 1098538926 /nfs/dbraw/zinc/53/89/26/1098538926.db2.gz DOKOBGANWSJCPH-LLVKDONJSA-N -1 2 324.269 3.307 20 0 DGADLM COc1ccccc1[C@@H](C)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234334564 1098538933 /nfs/dbraw/zinc/53/89/33/1098538933.db2.gz DOKOBGANWSJCPH-LLVKDONJSA-N -1 2 324.269 3.307 20 0 DGADLM O=c1[nH]c(Cl)c(C[N@@H+]2CC[C@H]2COCc2ccccc2)s1 ZINC001237149956 1100000009 /nfs/dbraw/zinc/00/00/09/1100000009.db2.gz AYUYBMUWZXAHQQ-LBPRGKRZSA-N -1 2 324.833 3.293 20 0 DGADLM CCOC(=O)NC(=S)Nc1cc(Cl)c([O-])cc1Cl ZINC001195486445 1101146182 /nfs/dbraw/zinc/14/61/82/1101146182.db2.gz DDXMWLAXFKXQLY-UHFFFAOYSA-N -1 2 309.174 3.142 20 0 DGADLM CCCCOc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cc1 ZINC001241269110 1101336067 /nfs/dbraw/zinc/33/60/67/1101336067.db2.gz DHJRGEXLGLZUAO-UHFFFAOYSA-N -1 2 306.298 3.336 20 0 DGADLM CCCCOc1ccc(-c2ccc([P@](=O)([O-])O)cc2)cc1 ZINC001241269110 1101336083 /nfs/dbraw/zinc/33/60/83/1101336083.db2.gz DHJRGEXLGLZUAO-UHFFFAOYSA-N -1 2 306.298 3.336 20 0 DGADLM Oc1ccc(F)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1F ZINC000294416454 224018861 /nfs/dbraw/zinc/01/88/61/224018861.db2.gz WPJWQQYSOGBNBJ-ABAIWWIYSA-N -1 2 323.339 3.352 20 0 DGADLM CC(C)[C@H]1CCC2=NN(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000634598413 401318721 /nfs/dbraw/zinc/31/87/21/401318721.db2.gz KCKUKUZRSXJEDB-SMDDNHRTSA-N -1 2 300.358 3.160 20 0 DGADLM CC(C)O[C@H]1C[C@H]([NH2+]Cc2nc(=O)c3sccc3[nH]2)C1(C)C ZINC000298032882 433043029 /nfs/dbraw/zinc/04/30/29/433043029.db2.gz CKVCNEFQWRGRDM-RYUDHWBXSA-N -1 2 321.446 3.079 20 0 DGADLM CCC[C@@H]1C[C@H]1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000462146999 434902176 /nfs/dbraw/zinc/90/21/76/434902176.db2.gz ROLFOHCWKGLIOI-RKDXNWHRSA-N -1 2 306.316 3.125 20 0 DGADLM Oc1cc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cc(C(F)(F)F)c1 ZINC000639776517 435412867 /nfs/dbraw/zinc/41/28/67/435412867.db2.gz NEHXLVAWBHITMN-CQSZACIVSA-N -1 2 311.307 3.471 20 0 DGADLM O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3ccc(C4CCC4)cc3)C2)[nH]1 ZINC000565884531 315294725 /nfs/dbraw/zinc/29/47/25/315294725.db2.gz JCEHIXKZYVKNRD-MRXNPFEDSA-N -1 2 312.417 3.157 20 0 DGADLM O=C([O-])C1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCCC1 ZINC000911155163 620326911 /nfs/dbraw/zinc/32/69/11/620326911.db2.gz RURVMHJYDSPWCB-UHFFFAOYSA-N -1 2 318.156 3.283 20 0 DGADLM O=C([O-])NCCCCC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000834235384 629680043 /nfs/dbraw/zinc/68/00/43/629680043.db2.gz QJAMPHLVMCNQFH-UHFFFAOYSA-N -1 2 321.160 3.075 20 0 DGADLM CC[C@@H]1[C@H](C)CC[N@H+]1Cn1[nH]c(-c2ccccn2)nc1=S ZINC000184987887 656123113 /nfs/dbraw/zinc/12/31/13/656123113.db2.gz OZJXTYAFUGCCCI-DGCLKSJQSA-N -1 2 303.435 3.081 20 0 DGADLM COc1cnc([C@@H]2CCCN2Cc2cc(C)cc(C)c2)[nH]c1=O ZINC000934276516 661693347 /nfs/dbraw/zinc/69/33/47/661693347.db2.gz OTPYTHMFRQRLFC-HNNXBMFYSA-N -1 2 313.401 3.145 20 0 DGADLM COc1cnc([C@H]2CCCN2Cc2cc(C)cc(C)c2)[nH]c1=O ZINC000934276517 661693359 /nfs/dbraw/zinc/69/33/59/661693359.db2.gz OTPYTHMFRQRLFC-OAHLLOKOSA-N -1 2 313.401 3.145 20 0 DGADLM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(Cl)c1O ZINC001610442515 1193388723 /nfs/dbraw/zinc/38/87/23/1193388723.db2.gz ZIQYKWAVDIWYRW-UHFFFAOYSA-N -1 2 305.717 3.305 20 0 DGADLM Cc1ccc(N2CCC(Oc3ccc4c(c3)OCC4=O)CC2)[nH+]c1 ZINC001225341365 1096400558 /nfs/dbraw/zinc/40/05/58/1096400558.db2.gz ZFBQBWSOVKKHQH-UHFFFAOYSA-N -1 2 324.380 3.013 20 0 DGADLM C[N@@H+](CCC(=O)c1ccccc1)Cc1cc([O-])c(F)c(F)c1 ZINC001232973082 1098190311 /nfs/dbraw/zinc/19/03/11/1098190311.db2.gz MEAWRZLIWDJSRC-UHFFFAOYSA-N -1 2 305.324 3.375 20 0 DGADLM C[C@@H]1CCC[C@@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)[C@H]1C ZINC001234331779 1098537521 /nfs/dbraw/zinc/53/75/21/1098537521.db2.gz KAMWFQOPXGMQRT-UHIISALHSA-N -1 2 300.291 3.362 20 0 DGADLM C[C@@H]1CCC[C@@H](Oc2ccc(O[P@](=O)([O-])O)cc2)[C@H]1C ZINC001234331779 1098537525 /nfs/dbraw/zinc/53/75/25/1098537525.db2.gz KAMWFQOPXGMQRT-UHIISALHSA-N -1 2 300.291 3.362 20 0 DGADLM CC(C)O[C@H]1CC[N@H+](Cc2ccc(Br)c(O)c2)C1 ZINC001236697573 1099747106 /nfs/dbraw/zinc/74/71/06/1099747106.db2.gz FXUGKGFZIWLBNN-LBPRGKRZSA-N -1 2 314.223 3.154 20 0 DGADLM O=[P@@]([O-])(O)c1ccc(-c2ccc(F)c3ccccc32)cc1 ZINC001241904697 1101774313 /nfs/dbraw/zinc/77/43/13/1101774313.db2.gz ZOCWUJLNFMEYAZ-UHFFFAOYSA-N -1 2 302.241 3.449 20 0 DGADLM O=[P@]([O-])(O)c1ccc(-c2ccc(F)c3ccccc32)cc1 ZINC001241904697 1101774324 /nfs/dbraw/zinc/77/43/24/1101774324.db2.gz ZOCWUJLNFMEYAZ-UHFFFAOYSA-N -1 2 302.241 3.449 20 0 DGADLM O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001242162080 1101952379 /nfs/dbraw/zinc/95/23/79/1101952379.db2.gz CKZHFRQELJEWSA-UHFFFAOYSA-N -1 2 308.293 3.140 20 0 DGADLM CCOc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)c(C)c1C ZINC001244068219 1103183971 /nfs/dbraw/zinc/18/39/71/1103183971.db2.gz MVJWWMULTIANIT-UHFFFAOYSA-N -1 2 306.298 3.172 20 0 DGADLM CCOc1ccc(-c2ccc([P@](=O)([O-])O)cc2)c(C)c1C ZINC001244068219 1103183979 /nfs/dbraw/zinc/18/39/79/1103183979.db2.gz MVJWWMULTIANIT-UHFFFAOYSA-N -1 2 306.298 3.172 20 0 DGADLM CCCOc1cc(F)ccc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001244359785 1103390318 /nfs/dbraw/zinc/39/03/18/1103390318.db2.gz IAEJPIJHQSTICD-UHFFFAOYSA-N -1 2 310.261 3.085 20 0 DGADLM CCCOc1cc(F)ccc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001244359785 1103390330 /nfs/dbraw/zinc/39/03/30/1103390330.db2.gz IAEJPIJHQSTICD-UHFFFAOYSA-N -1 2 310.261 3.085 20 0 DGADLM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1ccccc1 ZINC000262628477 304172592 /nfs/dbraw/zinc/17/25/92/304172592.db2.gz NYEWMCUVNULJRD-BZUAXINKSA-N -1 2 301.386 3.145 20 0 DGADLM Cc1cnc(C2CC[NH+]([C@@H](C)c3nc(C)cc(=O)[nH]3)CC2)s1 ZINC000279022483 432926651 /nfs/dbraw/zinc/92/66/51/432926651.db2.gz CBHZVKSTMFQTGT-LBPRGKRZSA-N -1 2 318.446 3.196 20 0 DGADLM Oc1ccc(Br)c(CN2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000375358942 433439678 /nfs/dbraw/zinc/43/96/78/433439678.db2.gz ZFUGHYUGEQTQKG-ZDUSSCGKSA-N -1 2 322.206 3.215 20 0 DGADLM O=C(N[C@@H]1CCc2sc(Cl)cc21)c1cccc2[nH]nnc21 ZINC000567666832 435340507 /nfs/dbraw/zinc/34/05/07/435340507.db2.gz SEXYLUJYEHRMNE-SECBINFHSA-N -1 2 318.789 3.090 20 0 DGADLM C[C@@H]1CC[N@@H+](Cc2cccc(O)c2Br)C[C@H]1F ZINC000656531909 435966932 /nfs/dbraw/zinc/96/69/32/435966932.db2.gz WDVIYJGLBIGVJG-MWLCHTKSSA-N -1 2 302.187 3.335 20 0 DGADLM Cc1[nH+]c2cc(CNC(=O)c3cccc(O)c3)ccc2n1C1CC1 ZINC000563401206 315111113 /nfs/dbraw/zinc/11/11/13/315111113.db2.gz JZEZXVQBLPZQCX-UHFFFAOYSA-N -1 2 321.380 3.315 20 0 DGADLM Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(O)c(F)c2)c1C ZINC000891486912 617812846 /nfs/dbraw/zinc/81/28/46/617812846.db2.gz POMQNGAXSLYHJL-UHFFFAOYSA-N -1 2 316.376 3.219 20 0 DGADLM Cc1n[nH]c(SCc2c(C(=O)[O-])sc3cccc(F)c32)n1 ZINC000041064805 957384915 /nfs/dbraw/zinc/38/49/15/957384915.db2.gz DRSNDXXVEJTCNY-UHFFFAOYSA-N -1 2 323.374 3.457 20 0 DGADLM COc1ccc([C@H](C)Oc2ccc(O[P@@](=O)([O-])O)cc2)cc1 ZINC001234331022 1098538088 /nfs/dbraw/zinc/53/80/88/1098538088.db2.gz ATGLYIHZMOVAJN-NSHDSACASA-N -1 2 324.269 3.307 20 0 DGADLM COc1ccc([C@H](C)Oc2ccc(O[P@](=O)([O-])O)cc2)cc1 ZINC001234331022 1098538093 /nfs/dbraw/zinc/53/80/93/1098538093.db2.gz ATGLYIHZMOVAJN-NSHDSACASA-N -1 2 324.269 3.307 20 0 DGADLM C[C@@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)c1ccccc1F ZINC001234332825 1098538169 /nfs/dbraw/zinc/53/81/69/1098538169.db2.gz SIIHZIDQTKUVLA-SNVBAGLBSA-N -1 2 312.233 3.437 20 0 DGADLM C[C@@H](Oc1ccc(O[P@](=O)([O-])O)cc1)c1ccccc1F ZINC001234332825 1098538172 /nfs/dbraw/zinc/53/81/72/1098538172.db2.gz SIIHZIDQTKUVLA-SNVBAGLBSA-N -1 2 312.233 3.437 20 0 DGADLM C[C@H](Cc1ccccc1)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234332813 1098538227 /nfs/dbraw/zinc/53/82/27/1098538227.db2.gz SEMOSNMQJLKDOD-GFCCVEGCSA-N -1 2 308.270 3.168 20 0 DGADLM C[C@H](Cc1ccccc1)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234332813 1098538231 /nfs/dbraw/zinc/53/82/31/1098538231.db2.gz SEMOSNMQJLKDOD-GFCCVEGCSA-N -1 2 308.270 3.168 20 0 DGADLM O=[P@@]([O-])(O)Oc1ccc(O[C@H]2CCCc3cccnc32)cc1 ZINC001234338958 1098539891 /nfs/dbraw/zinc/53/98/91/1098539891.db2.gz MKTSZBXMQVCBFW-AWEZNQCLSA-N -1 2 321.269 3.010 20 0 DGADLM O=[P@]([O-])(O)Oc1ccc(O[C@H]2CCCc3cccnc32)cc1 ZINC001234338958 1098539898 /nfs/dbraw/zinc/53/98/98/1098539898.db2.gz MKTSZBXMQVCBFW-AWEZNQCLSA-N -1 2 321.269 3.010 20 0 DGADLM O=[P@@]([O-])(O)Oc1ccc(O[C@H]2CCc3ccccc32)cc1 ZINC001234340058 1098540151 /nfs/dbraw/zinc/54/01/51/1098540151.db2.gz RZJKXGRRRAVWHD-HNNXBMFYSA-N -1 2 306.254 3.224 20 0 DGADLM O=[P@]([O-])(O)Oc1ccc(O[C@H]2CCc3ccccc32)cc1 ZINC001234340058 1098540155 /nfs/dbraw/zinc/54/01/55/1098540155.db2.gz RZJKXGRRRAVWHD-HNNXBMFYSA-N -1 2 306.254 3.224 20 0 DGADLM CC(C)(C)Oc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cc1 ZINC001235927691 1099263327 /nfs/dbraw/zinc/26/33/27/1099263327.db2.gz LRMJRCKHKKKQRL-UHFFFAOYSA-N -1 2 306.298 3.334 20 0 DGADLM CC(C)(C)Oc1ccc(-c2ccc([P@](=O)([O-])O)cc2)cc1 ZINC001235927691 1099263328 /nfs/dbraw/zinc/26/33/28/1099263328.db2.gz LRMJRCKHKKKQRL-UHFFFAOYSA-N -1 2 306.298 3.334 20 0 DGADLM Cc1cn2cc(NS(=O)(=O)c3c(C)cccc3C)ccc2[nH+]1 ZINC001194609981 1100967060 /nfs/dbraw/zinc/96/70/60/1100967060.db2.gz SPLXMAGGZIVEME-UHFFFAOYSA-N -1 2 315.398 3.060 20 0 DGADLM Cc1cc(-c2ccc([P@@](=O)([O-])O)cc2)ccc1C(F)(F)F ZINC001242425306 1102124247 /nfs/dbraw/zinc/12/42/47/1102124247.db2.gz RRJYTPSDUGLTSR-UHFFFAOYSA-N -1 2 316.215 3.484 20 0 DGADLM Cc1cc(-c2ccc([P@](=O)([O-])O)cc2)ccc1C(F)(F)F ZINC001242425306 1102124250 /nfs/dbraw/zinc/12/42/50/1102124250.db2.gz RRJYTPSDUGLTSR-UHFFFAOYSA-N -1 2 316.215 3.484 20 0 DGADLM COc1ccc(-c2cc(=O)n(Cc3ccc(C(=O)[O-])cc3)[nH]2)cc1 ZINC001245919274 1104307401 /nfs/dbraw/zinc/30/74/01/1104307401.db2.gz DEAKLLDLVVZVAH-UHFFFAOYSA-N -1 2 324.336 3.011 20 0 DGADLM O=S(=O)(CC(F)(F)F)[N-]c1cc(Cl)cc(Cl)c1O ZINC001253189320 1105899960 /nfs/dbraw/zinc/89/99/60/1105899960.db2.gz PSYFEIHEQSTPPS-UHFFFAOYSA-N -1 2 324.107 3.003 20 0 DGADLM Cc1cccc2c(=O)c(C(=O)N3C[C@@H](C)S[C@@H](C)C3)c[nH]c12 ZINC000164179565 432046122 /nfs/dbraw/zinc/04/61/22/432046122.db2.gz FKXKNGWYNYGWLQ-TXEJJXNPSA-N -1 2 316.426 3.215 20 0 DGADLM O=C([O-])c1cccc(N2N=C(c3ccc(Cl)cc3)CC2=O)c1 ZINC000614185728 400850846 /nfs/dbraw/zinc/85/08/46/400850846.db2.gz XPGOGIVYJFQNKP-UHFFFAOYSA-N -1 2 314.728 3.179 20 0 DGADLM COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1c(F)ccc(O)c1F ZINC000353158143 265322291 /nfs/dbraw/zinc/32/22/91/265322291.db2.gz XWEMAZQQBRGMND-CQSZACIVSA-N -1 2 321.367 3.360 20 0 DGADLM Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000186160270 432563489 /nfs/dbraw/zinc/56/34/89/432563489.db2.gz AVQODCHXCVDQBP-UHFFFAOYSA-N -1 2 316.376 3.219 20 0 DGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(C3CC3)cc2)c1 ZINC000678479623 548713650 /nfs/dbraw/zinc/71/36/50/548713650.db2.gz WVECTCGXRXZDMD-UHFFFAOYSA-N -1 2 323.395 3.125 20 0 DGADLM Cc1cc(NC(=O)c2cccc(Cl)c2O)sc1C(=O)[O-] ZINC001600275967 1192824777 /nfs/dbraw/zinc/82/47/77/1192824777.db2.gz NJEAZTNUHCHTNU-UHFFFAOYSA-N -1 2 311.746 3.366 20 0 DGADLM Cc1cc(NC(=O)c2cccc(Cl)c2O)ccc1C(=O)[O-] ZINC001600275933 1192824974 /nfs/dbraw/zinc/82/49/74/1192824974.db2.gz LFPFZMGFMSKTIR-UHFFFAOYSA-N -1 2 305.717 3.305 20 0 DGADLM CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2ccc(O)c(F)c2F)C1 ZINC001462466146 1182956058 /nfs/dbraw/zinc/95/60/58/1182956058.db2.gz IARJSYVQGIQHPO-HNNXBMFYSA-N -1 2 318.367 3.381 20 0 DGADLM CC(C)[C@@H]1CCC2=NN(c3cccc(C(=O)[O-])c3F)C(=O)[C@@H]2C1 ZINC001591082683 991600565 /nfs/dbraw/zinc/60/05/65/991600565.db2.gz WDZXOIQXYCFSQH-ZYHUDNBSSA-N -1 2 318.348 3.299 20 0 DGADLM O=C1NCc2ccccc2[C@@H]1Nc1cc([S-])cc(S)c1 ZINC001169884728 1081666469 /nfs/dbraw/zinc/66/64/69/1081666469.db2.gz AXGPZTKEMCVGSZ-AWEZNQCLSA-N -1 2 302.424 3.047 20 0 DGADLM Oc1cnccc1C[N@@H+]1CCc2cccc(Br)c2C1 ZINC001140273641 1091813361 /nfs/dbraw/zinc/81/33/61/1091813361.db2.gz OCZYOKAWZXTLBP-UHFFFAOYSA-N -1 2 319.202 3.108 20 0 DGADLM CS(=O)(=O)c1ccc(O)c(Nc2ccc3c[nH+]ccc3c2)c1 ZINC001210048024 1093026903 /nfs/dbraw/zinc/02/69/03/1093026903.db2.gz DCHYSSXIMRQKED-UHFFFAOYSA-N -1 2 314.366 3.088 20 0 DGADLM C[N@@H+]1CCN(Cc2cc(F)c([O-])cc2F)[C@H](c2ccccc2)C1 ZINC001144647100 1095747001 /nfs/dbraw/zinc/74/70/01/1095747001.db2.gz YONUYUWDGKBZLO-KRWDZBQOSA-N -1 2 318.367 3.159 20 0 DGADLM O=[P@@]([O-])(O)Oc1ccc(O[C@@H]2CCc3ccccc3C2)cc1 ZINC001234332396 1098537635 /nfs/dbraw/zinc/53/76/35/1098537635.db2.gz PMWGZRBFUPHSIR-MRXNPFEDSA-N -1 2 320.281 3.094 20 0 DGADLM O=[P@]([O-])(O)Oc1ccc(O[C@@H]2CCc3ccccc3C2)cc1 ZINC001234332396 1098537637 /nfs/dbraw/zinc/53/76/37/1098537637.db2.gz PMWGZRBFUPHSIR-MRXNPFEDSA-N -1 2 320.281 3.094 20 0 DGADLM C[C@@H]1CC[C@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)C[C@@H]1C ZINC001234333226 1098538692 /nfs/dbraw/zinc/53/86/92/1098538692.db2.gz VXFPAYBVJLXDDX-SUNKGSAMSA-N -1 2 300.291 3.362 20 0 DGADLM C[C@@H]1CC[C@H](Oc2ccc(O[P@](=O)([O-])O)cc2)C[C@@H]1C ZINC001234333226 1098538697 /nfs/dbraw/zinc/53/86/97/1098538697.db2.gz VXFPAYBVJLXDDX-SUNKGSAMSA-N -1 2 300.291 3.362 20 0 DGADLM COc1ccc2c(c1)CC[N@@H+](Cc1sc(=O)[nH]c1Cl)C2 ZINC001237156520 1100004698 /nfs/dbraw/zinc/00/46/98/1100004698.db2.gz CSHXUNLUCBJSFB-UHFFFAOYSA-N -1 2 310.806 3.069 20 0 DGADLM [S-]c1cc([S-])cc(-c2ccc(C[NH+]3CCOCC3)nc2)c1 ZINC001239591589 1100697832 /nfs/dbraw/zinc/69/78/32/1100697832.db2.gz YTEVAOGQNOBXCZ-UHFFFAOYSA-N -1 2 318.467 3.158 20 0 DGADLM COCNC(=O)c1cccc(-c2cc([S-])cc(S)c2)c1 ZINC001245119285 1103869961 /nfs/dbraw/zinc/86/99/61/1103869961.db2.gz OFRIOENHGOZORR-UHFFFAOYSA-N -1 2 305.424 3.265 20 0 DGADLM CSc1ccccc1[N-]C(=S)N1CC[N@H+](C)C(C)(C)C1 ZINC001249697893 1105358349 /nfs/dbraw/zinc/35/83/49/1105358349.db2.gz JYOJEFZDWJSMEK-UHFFFAOYSA-N -1 2 309.504 3.131 20 0 DGADLM CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625149296 401043440 /nfs/dbraw/zinc/04/34/40/401043440.db2.gz IGPQSYMISIHSFB-CYBMUJFWSA-N -1 2 324.852 3.172 20 0 DGADLM Oc1ccc(Br)c(CN2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000375358941 433439822 /nfs/dbraw/zinc/43/98/22/433439822.db2.gz ZFUGHYUGEQTQKG-CYBMUJFWSA-N -1 2 322.206 3.215 20 0 DGADLM Oc1ccc(F)c(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1F ZINC000293977552 433947988 /nfs/dbraw/zinc/94/79/88/433947988.db2.gz RAOOZRXEPMEVFY-ZBFHGGJFSA-N -1 2 309.356 3.204 20 0 DGADLM CC[C@H](C)[C@@H](C)C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000506629190 294273602 /nfs/dbraw/zinc/27/36/02/294273602.db2.gz XQBMFGGHFMCJEO-DTWKUNHWSA-N -1 2 308.332 3.371 20 0 DGADLM Cc1ccc(C2(NC(=O)c3cccc4[nH]nnc43)CCC2)cc1 ZINC000649165457 435528551 /nfs/dbraw/zinc/52/85/51/435528551.db2.gz MGCMJSOJFWDJSF-UHFFFAOYSA-N -1 2 306.369 3.076 20 0 DGADLM Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC(C)(C)CC1 ZINC000822331313 628441308 /nfs/dbraw/zinc/44/13/08/628441308.db2.gz DAPBFEZYHIHSKA-UHFFFAOYSA-N -1 2 322.416 3.350 20 0 DGADLM Cc1cccc(C(=O)[O-])c1NC(=O)c1cccc(Cl)c1O ZINC001574389260 961157142 /nfs/dbraw/zinc/15/71/42/961157142.db2.gz MZEDPNDZXIZABW-UHFFFAOYSA-N -1 2 305.717 3.305 20 0 DGADLM CC(C)[C@H]1CCC2=NN(c3cccc(C(=O)[O-])c3F)C(=O)[C@@H]2C1 ZINC001591082677 991600774 /nfs/dbraw/zinc/60/07/74/991600774.db2.gz WDZXOIQXYCFSQH-CMPLNLGQSA-N -1 2 318.348 3.299 20 0 DGADLM CC(C)[C@H](Nc1ccc([P@@](=O)([O-])O)cc1)c1ccc(F)cc1 ZINC001170066616 1081984327 /nfs/dbraw/zinc/98/43/27/1081984327.db2.gz LWJNEIFPSFWXJD-INIZCTEOSA-N -1 2 323.304 3.438 20 0 DGADLM CC(C)[C@H](Nc1ccc([P@](=O)([O-])O)cc1)c1ccc(F)cc1 ZINC001170066616 1081984331 /nfs/dbraw/zinc/98/43/31/1081984331.db2.gz LWJNEIFPSFWXJD-INIZCTEOSA-N -1 2 323.304 3.438 20 0 DGADLM C[N@H+](Cc1ccc(O)c(F)c1F)[C@H](CCO)c1ccccc1 ZINC001204335320 1090951946 /nfs/dbraw/zinc/95/19/46/1090951946.db2.gz QDHJBQMEDBSQFH-CQSZACIVSA-N -1 2 307.340 3.226 20 0 DGADLM Oc1cnccc1C[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC001140281101 1091815620 /nfs/dbraw/zinc/81/56/20/1091815620.db2.gz WWBLERPILSDCRU-UHFFFAOYSA-N -1 2 308.303 3.364 20 0 DGADLM Oc1cc(F)c(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)cc1F ZINC001144648808 1095748094 /nfs/dbraw/zinc/74/80/94/1095748094.db2.gz YBTVUBQCJYEJEU-GFCCVEGCSA-N -1 2 313.241 3.394 20 0 DGADLM C[N@@H+]1CCN(Cc2cc(F)c(O)c(F)c2)[C@H](c2ccccc2)C1 ZINC000322407177 1096664753 /nfs/dbraw/zinc/66/47/53/1096664753.db2.gz VVPHCLXZKQADRL-KRWDZBQOSA-N -1 2 318.367 3.159 20 0 DGADLM Cc1cc(C[N@H+](C)Cc2ccc(O)c(C(F)(F)F)c2)n(C)n1 ZINC001231525299 1097772484 /nfs/dbraw/zinc/77/24/84/1097772484.db2.gz ZUZPCWBFTOXECH-UHFFFAOYSA-N -1 2 313.323 3.085 20 0 DGADLM C[C@H]1C[C@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)C[C@@H](C)C1 ZINC001234333145 1098537488 /nfs/dbraw/zinc/53/74/88/1098537488.db2.gz SXEYLYXFDGCXCL-YABSGUDNSA-N -1 2 300.291 3.362 20 0 DGADLM C[C@H]1C[C@H](Oc2ccc(O[P@](=O)([O-])O)cc2)C[C@@H](C)C1 ZINC001234333145 1098537491 /nfs/dbraw/zinc/53/74/91/1098537491.db2.gz SXEYLYXFDGCXCL-YABSGUDNSA-N -1 2 300.291 3.362 20 0 DGADLM CCOC(=[NH2+])c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001242163283 1101953446 /nfs/dbraw/zinc/95/34/46/1101953446.db2.gz SWSSTMGEGLEJNL-UHFFFAOYSA-N -1 2 313.309 3.112 20 0 DGADLM CCCOc1cccc(F)c1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001243272328 1102625397 /nfs/dbraw/zinc/62/53/97/1102625397.db2.gz BSJHZEQZUODTPW-UHFFFAOYSA-N -1 2 310.261 3.085 20 0 DGADLM CCCOc1cccc(F)c1-c1ccc([P@](=O)([O-])O)cc1 ZINC001243272328 1102625404 /nfs/dbraw/zinc/62/54/04/1102625404.db2.gz BSJHZEQZUODTPW-UHFFFAOYSA-N -1 2 310.261 3.085 20 0 DGADLM O=S(=O)(Nc1ccc(Cl)cc1[S-])c1cccs1 ZINC001250922845 1105605123 /nfs/dbraw/zinc/60/51/23/1105605123.db2.gz GSNSKRUEYRYWIZ-UHFFFAOYSA-N -1 2 305.833 3.491 20 0 DGADLM CC(C)[C@@H]1CCC2=NN(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000634598410 401318491 /nfs/dbraw/zinc/31/84/91/401318491.db2.gz KCKUKUZRSXJEDB-BXUZGUMPSA-N -1 2 300.358 3.160 20 0 DGADLM CC(C)OCc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1 ZINC000194159923 432528128 /nfs/dbraw/zinc/52/81/28/432528128.db2.gz ATKOUANVQFSPJM-UHFFFAOYSA-N -1 2 310.357 3.135 20 0 DGADLM Oc1cc(F)cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000186185488 432565864 /nfs/dbraw/zinc/56/58/64/432565864.db2.gz WMVNAVKSFCEVPM-QGZVFWFLSA-N -1 2 305.324 3.244 20 0 DGADLM CN(C)C[C@H]([NH2+]Cc1cc(O)cc(F)c1)c1ccc(F)cc1 ZINC000290103926 432992616 /nfs/dbraw/zinc/99/26/16/432992616.db2.gz KOESFNXWKMTDTO-KRWDZBQOSA-N -1 2 306.356 3.063 20 0 DGADLM Oc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1Cl ZINC000294302624 434075635 /nfs/dbraw/zinc/07/56/35/434075635.db2.gz PZKWPTBAVYCLMY-XJKSGUPXSA-N -1 2 320.864 3.494 20 0 DGADLM CC[C@@H](NC(=O)c1cccc2[nH]nnc21)c1cc(F)ccc1F ZINC000180055241 323220975 /nfs/dbraw/zinc/22/09/75/323220975.db2.gz WCTQYFCGULEQNE-CYBMUJFWSA-N -1 2 316.311 3.117 20 0 DGADLM Oc1cccnc1C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000581147386 324081008 /nfs/dbraw/zinc/08/10/08/324081008.db2.gz AOOQTYFTPBEXIW-MRXNPFEDSA-N -1 2 304.777 3.014 20 0 DGADLM CCc1cc(NCc2ccc(O)c(Br)c2)nc[nH+]1 ZINC000675803287 548275857 /nfs/dbraw/zinc/27/58/57/548275857.db2.gz WPAQONKQIJJJCZ-UHFFFAOYSA-N -1 2 308.179 3.119 20 0 DGADLM CCCCc1cc(NS(=O)(=O)C=Cc2ccc(C)cc2)n[nH]1 ZINC000760324187 621931604 /nfs/dbraw/zinc/93/16/04/621931604.db2.gz WZLVUBVSZCBNTN-ZHACJKMWSA-N -1 2 319.430 3.473 20 0 DGADLM O=C([O-])c1ccc(F)c(NC(=O)c2cccc(Cl)c2O)c1 ZINC001602364723 1192975365 /nfs/dbraw/zinc/97/53/65/1192975365.db2.gz KGBBAWYHSLZXKO-UHFFFAOYSA-N -1 2 309.680 3.135 20 0 DGADLM Cc1nc(N[C@H]2CC[C@H](c3nccc(=O)[nH]3)CC2)c(C)c(C)[nH+]1 ZINC001640524959 1194818415 /nfs/dbraw/zinc/81/84/15/1194818415.db2.gz GGUMQPFFUQQDRX-HDJSIYSDSA-N -1 2 313.405 3.036 20 0 DGADLM Cc1[nH]c([C@H]2CCCN2C(=O)c2cc(O)ccc2Cl)[nH+]c1C ZINC001649369990 1195332146 /nfs/dbraw/zinc/33/21/46/1195332146.db2.gz LHVQLDUODBHILR-CQSZACIVSA-N -1 2 319.792 3.363 20 0 DGADLM CC(C)(C)CC[C@@H](NC(=O)c1cccc(Cl)c1O)C(=O)[O-] ZINC001588647103 959744162 /nfs/dbraw/zinc/74/41/62/959744162.db2.gz BVGPDVRIMYQHMS-LLVKDONJSA-N -1 2 313.781 3.055 20 0 DGADLM O[C@@H](CNc1cc([S-])cc(S)c1)COc1ccccc1 ZINC001163815026 1090265332 /nfs/dbraw/zinc/26/53/32/1090265332.db2.gz SSMYRXWBRHZOCT-LBPRGKRZSA-N -1 2 307.440 3.116 20 0 DGADLM C[N@H+]1CCN(Cc2c(F)cc(O)cc2F)[C@@H](c2ccccc2)C1 ZINC001144542008 1095707183 /nfs/dbraw/zinc/70/71/83/1095707183.db2.gz OVLPLEHZGOOOEM-GOSISDBHSA-N -1 2 318.367 3.159 20 0 DGADLM C[N@H+](CCC(=O)c1cccs1)Cc1cc(F)c(O)cc1F ZINC001144659248 1095757154 /nfs/dbraw/zinc/75/71/54/1095757154.db2.gz AFUMBTJRUQYYGY-UHFFFAOYSA-N -1 2 311.353 3.437 20 0 DGADLM Cc1ccc([C@H](C)Oc2ccc(O[P@@](=O)([O-])O)cc2)cn1 ZINC001234331886 1098537557 /nfs/dbraw/zinc/53/75/57/1098537557.db2.gz KRQISEQOVDNYLV-NSHDSACASA-N -1 2 309.258 3.002 20 0 DGADLM Cc1ccc([C@H](C)Oc2ccc(O[P@](=O)([O-])O)cc2)cn1 ZINC001234331886 1098537561 /nfs/dbraw/zinc/53/75/61/1098537561.db2.gz KRQISEQOVDNYLV-NSHDSACASA-N -1 2 309.258 3.002 20 0 DGADLM O=[P@@]([O-])(O)c1ccc(-c2cccc(OC3CCCC3)c2)cc1 ZINC001242034816 1101870115 /nfs/dbraw/zinc/87/01/15/1101870115.db2.gz PZLLZJQCIQZHRC-UHFFFAOYSA-N -1 2 318.309 3.478 20 0 DGADLM O=[P@]([O-])(O)c1ccc(-c2cccc(OC3CCCC3)c2)cc1 ZINC001242034816 1101870125 /nfs/dbraw/zinc/87/01/25/1101870125.db2.gz PZLLZJQCIQZHRC-UHFFFAOYSA-N -1 2 318.309 3.478 20 0 DGADLM O=C([O-])c1nnc(-c2cccc(Cl)c2O)cc1C(F)(F)F ZINC001242365965 1102082761 /nfs/dbraw/zinc/08/27/61/1102082761.db2.gz WHQGIPAGHWWFIV-UHFFFAOYSA-N -1 2 318.638 3.220 20 0 DGADLM O=C([O-])Cc1ccc(OCCOc2ccc(Cl)cc2)cc1 ZINC000013420960 181848713 /nfs/dbraw/zinc/84/87/13/181848713.db2.gz KVIRPFDDVMYNDK-UHFFFAOYSA-N -1 2 306.745 3.425 20 0 DGADLM Cc1[nH]c2ccc(CSc3nc(C)c(C)c(=O)[nH]3)cc2[nH+]1 ZINC000342681589 254031485 /nfs/dbraw/zinc/03/14/85/254031485.db2.gz WQVOAULRSPDMMS-UHFFFAOYSA-N -1 2 300.387 3.276 20 0 DGADLM CC[C@@H]1C[N@H+](Cc2cc(O)ccc2Cl)[C@H](CC)CN1C(C)=O ZINC000625204262 401058708 /nfs/dbraw/zinc/05/87/08/401058708.db2.gz NJYJPFGHZBXLDO-HUUCEWRRSA-N -1 2 324.852 3.267 20 0 DGADLM Oc1ccc(Cl)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000625379677 401115024 /nfs/dbraw/zinc/11/50/24/401115024.db2.gz ASHLMDAGPSZSJU-OAHLLOKOSA-N -1 2 304.777 3.094 20 0 DGADLM COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000279072851 432932353 /nfs/dbraw/zinc/93/23/53/432932353.db2.gz KMXXRXOJKOKVQI-QWHCGFSZSA-N -1 2 301.390 3.219 20 0 DGADLM CN(C)C[C@@H]([NH2+]Cc1cc(O)cc(F)c1)c1ccc(F)cc1 ZINC000290103930 432992857 /nfs/dbraw/zinc/99/28/57/432992857.db2.gz KOESFNXWKMTDTO-QGZVFWFLSA-N -1 2 306.356 3.063 20 0 DGADLM CCO[C@@H](CC(=O)Nc1nc(-c2ccccc2F)n[nH]1)C(C)C ZINC000352296067 434032001 /nfs/dbraw/zinc/03/20/01/434032001.db2.gz VKEANLFPFOQDKP-ZDUSSCGKSA-N -1 2 320.368 3.001 20 0 DGADLM C/C=C/c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000341047342 434510634 /nfs/dbraw/zinc/51/06/34/434510634.db2.gz OBQWIBMYGVTAKI-NSCUHMNNSA-N -1 2 323.395 3.280 20 0 DGADLM C[C@H]1COC(C)(C)C[N@@H+]1Cc1cccc(O)c1Br ZINC000459513605 434594403 /nfs/dbraw/zinc/59/44/03/434594403.db2.gz SFODOBUQRGRTKL-JTQLQIEISA-N -1 2 314.223 3.154 20 0 DGADLM C[C@H]1CC[N@@H+](Cc2cccc(O)c2Br)C[C@H]1F ZINC000656531907 435966840 /nfs/dbraw/zinc/96/68/40/435966840.db2.gz WDVIYJGLBIGVJG-GXSJLCMTSA-N -1 2 302.187 3.335 20 0 DGADLM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc2[nH]nnc21 ZINC000542821129 314100929 /nfs/dbraw/zinc/10/09/29/314100929.db2.gz SFXCLVTXUVVRQT-STQMWFEESA-N -1 2 300.406 3.293 20 0 DGADLM CC[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000736401525 574747886 /nfs/dbraw/zinc/74/78/86/574747886.db2.gz JHARWFLSERBFRA-LBPRGKRZSA-N -1 2 308.389 3.041 20 0 DGADLM CC[C@@H]1CCC[N@@H+](Cn2[nH]c(-c3ccccn3)nc2=S)CC1 ZINC000153328287 620550337 /nfs/dbraw/zinc/55/03/37/620550337.db2.gz JHQBJNNZASDODK-CYBMUJFWSA-N -1 2 317.462 3.472 20 0 DGADLM CC[C@@]1(C)CC[N@@H+](Cn2[nH]c(-c3ccccn3)nc2=S)C1 ZINC000758390893 621778777 /nfs/dbraw/zinc/77/87/77/621778777.db2.gz DECHCAOUPIBTIB-HNNXBMFYSA-N -1 2 303.435 3.082 20 0 DGADLM CCc1ccc(C(=O)Nc2cccnc2-n2cc[nH+]c2C)c(O)c1 ZINC000189920749 661997347 /nfs/dbraw/zinc/99/73/47/661997347.db2.gz DLJNQAZKVLWLSD-UHFFFAOYSA-N -1 2 322.368 3.096 20 0 DGADLM O=C([O-])c1coc(-c2noc(-c3cccc(Cl)c3O)n2)c1 ZINC001602547803 1192987042 /nfs/dbraw/zinc/98/70/42/1192987042.db2.gz AEECEVQPGFYFBQ-UHFFFAOYSA-N -1 2 306.661 3.054 20 0 DGADLM Cc1[nH]c([C@@H]2CCCN2C(=O)c2cc(O)ccc2Cl)[nH+]c1C ZINC001649369987 1195332057 /nfs/dbraw/zinc/33/20/57/1195332057.db2.gz LHVQLDUODBHILR-AWEZNQCLSA-N -1 2 319.792 3.363 20 0 DGADLM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cccc(Cl)c1O ZINC001598512190 992575948 /nfs/dbraw/zinc/57/59/48/992575948.db2.gz SHKYJOUBQQUSIX-UHFFFAOYSA-N -1 2 319.744 3.016 20 0 DGADLM Oc1cc(F)c(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c(F)c1 ZINC001144554829 1095710281 /nfs/dbraw/zinc/71/02/81/1095710281.db2.gz JCIPQYSGLPHPOQ-GFCCVEGCSA-N -1 2 304.340 3.445 20 0 DGADLM CC[C@@H](Nc1ccc([P@@](=O)([O-])O)cc1)c1ccccc1C ZINC001171201478 1095733175 /nfs/dbraw/zinc/73/31/75/1095733175.db2.gz NJNFZDXUFAYCSE-MRXNPFEDSA-N -1 2 305.314 3.361 20 0 DGADLM CC[C@@H](Nc1ccc([P@](=O)([O-])O)cc1)c1ccccc1C ZINC001171201478 1095733190 /nfs/dbraw/zinc/73/31/90/1095733190.db2.gz NJNFZDXUFAYCSE-MRXNPFEDSA-N -1 2 305.314 3.361 20 0 DGADLM C[C@H](Oc1ccc(C[C@H]2SC(=O)NC2=O)cc1)C1=CC=C[CH]1 ZINC001229621209 1097354217 /nfs/dbraw/zinc/35/42/17/1097354217.db2.gz ASVDNEGEOICSSJ-XHDPSFHLSA-N -1 2 314.386 3.048 20 0 DGADLM C[C@H]1CC(Oc2ccc(O[P@@](=O)([O-])O)cc2)C[C@H](C)C1 ZINC001234333143 1098537849 /nfs/dbraw/zinc/53/78/49/1098537849.db2.gz SXEYLYXFDGCXCL-GHMZBOCLSA-N -1 2 300.291 3.362 20 0 DGADLM C[C@H]1CC(Oc2ccc(O[P@](=O)([O-])O)cc2)C[C@H](C)C1 ZINC001234333143 1098537855 /nfs/dbraw/zinc/53/78/55/1098537855.db2.gz SXEYLYXFDGCXCL-GHMZBOCLSA-N -1 2 300.291 3.362 20 0 DGADLM C[C@@H]1CC[C@@H](C)[C@@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)C1 ZINC001234333859 1098538543 /nfs/dbraw/zinc/53/85/43/1098538543.db2.gz ZZSOPNNPEWRATM-GYSYKLTISA-N -1 2 300.291 3.362 20 0 DGADLM C[C@@H]1CC[C@@H](C)[C@@H](Oc2ccc(O[P@](=O)([O-])O)cc2)C1 ZINC001234333859 1098538545 /nfs/dbraw/zinc/53/85/45/1098538545.db2.gz ZZSOPNNPEWRATM-GYSYKLTISA-N -1 2 300.291 3.362 20 0 DGADLM COc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)c2ccccc12 ZINC001241979223 1101821117 /nfs/dbraw/zinc/82/11/17/1101821117.db2.gz JYHWRSLUKMTBCN-UHFFFAOYSA-N -1 2 314.277 3.318 20 0 DGADLM COc1ccc(-c2ccc([P@](=O)([O-])O)cc2)c2ccccc12 ZINC001241979223 1101821132 /nfs/dbraw/zinc/82/11/32/1101821132.db2.gz JYHWRSLUKMTBCN-UHFFFAOYSA-N -1 2 314.277 3.318 20 0 DGADLM CCOC(=[NH2+])c1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242162609 1101953650 /nfs/dbraw/zinc/95/36/50/1101953650.db2.gz ISOSWHVQNTYRIU-UHFFFAOYSA-N -1 2 313.309 3.112 20 0 DGADLM CC(C)COc1ccccc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001244056146 1103173642 /nfs/dbraw/zinc/17/36/42/1103173642.db2.gz UBFUMOKYRQIZLZ-UHFFFAOYSA-N -1 2 306.298 3.191 20 0 DGADLM CC(C)COc1ccccc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001244056146 1103173649 /nfs/dbraw/zinc/17/36/49/1103173649.db2.gz UBFUMOKYRQIZLZ-UHFFFAOYSA-N -1 2 306.298 3.191 20 0 DGADLM CSc1ccc(F)c(C)c1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001245758834 1104223204 /nfs/dbraw/zinc/22/32/04/1104223204.db2.gz QVCGKOGKYDYRQM-UHFFFAOYSA-N -1 2 312.302 3.326 20 0 DGADLM CSc1ccc(F)c(C)c1-c1ccc([P@](=O)([O-])O)cc1 ZINC001245758834 1104223212 /nfs/dbraw/zinc/22/32/12/1104223212.db2.gz QVCGKOGKYDYRQM-UHFFFAOYSA-N -1 2 312.302 3.326 20 0 DGADLM Cc1cc(C2=NN(c3ccccc3C(=O)[O-])C(=O)C2)ccc1F ZINC001245945033 1104330894 /nfs/dbraw/zinc/33/08/94/1104330894.db2.gz VCQZOJKUFKHPJZ-UHFFFAOYSA-N -1 2 312.300 3.391 20 0 DGADLM O=S(=O)(CC(F)(F)F)[N-]c1ccc(Cl)c(Cl)c1O ZINC001253193579 1105900895 /nfs/dbraw/zinc/90/08/95/1105900895.db2.gz OKBKLDKTEGCHEV-UHFFFAOYSA-N -1 2 324.107 3.003 20 0 DGADLM Oc1cc(F)cc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000368700852 271196063 /nfs/dbraw/zinc/19/60/63/271196063.db2.gz WQLQRSNKNMTTAZ-YOEHRIQHSA-N -1 2 323.314 3.117 20 0 DGADLM CCc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2cc(C)no2)o1 ZINC000265473619 432702864 /nfs/dbraw/zinc/70/28/64/432702864.db2.gz QDFQCJHZGOGLCE-GXTWGEPZSA-N -1 2 317.389 3.303 20 0 DGADLM Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1 ZINC000177919534 432673558 /nfs/dbraw/zinc/67/35/58/432673558.db2.gz CYTSUUKKNZZBTA-LZWOXQAQSA-N -1 2 313.401 3.014 20 0 DGADLM COc1ccc(C[N@@H+]2CCC[C@@H]2CF)c(Br)c1O ZINC000293872809 433905613 /nfs/dbraw/zinc/90/56/13/433905613.db2.gz CPQOLDZOWBMOLW-SNVBAGLBSA-N -1 2 318.186 3.097 20 0 DGADLM CCO[C@H](CC(=O)Nc1nc(-c2ccccc2F)n[nH]1)C(C)C ZINC000352296066 434031498 /nfs/dbraw/zinc/03/14/98/434031498.db2.gz VKEANLFPFOQDKP-CYBMUJFWSA-N -1 2 320.368 3.001 20 0 DGADLM CC[C@@H](C)[C@H](C)C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000506629182 294273400 /nfs/dbraw/zinc/27/34/00/294273400.db2.gz XQBMFGGHFMCJEO-BDAKNGLRSA-N -1 2 308.332 3.371 20 0 DGADLM COC(=O)[C@H](C)C(=O)c1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000570216113 435601295 /nfs/dbraw/zinc/60/12/95/435601295.db2.gz OWJDXSIGAALCHL-LLVKDONJSA-N -1 2 312.321 3.044 20 0 DGADLM COC(=O)C(C)=C(O)c1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000570216113 435601299 /nfs/dbraw/zinc/60/12/99/435601299.db2.gz OWJDXSIGAALCHL-LLVKDONJSA-N -1 2 312.321 3.044 20 0 DGADLM CCOc1cc(C[N@@H+]2CC=CCC2)cc(Br)c1O ZINC000656532291 435966862 /nfs/dbraw/zinc/96/68/62/435966862.db2.gz WFHGIKFSBBGFLA-UHFFFAOYSA-N -1 2 312.207 3.315 20 0 DGADLM O=C([O-])CCCCCNC(=O)c1ccc(Cl)c(Cl)c1O ZINC000739668232 574910749 /nfs/dbraw/zinc/91/07/49/574910749.db2.gz JIFNDWBCJQAGRY-UHFFFAOYSA-N -1 2 320.172 3.074 20 0 DGADLM CC(=O)c1cc(F)c([O-])c(NC(=O)c2cccc(Cl)c2O)c1 ZINC001471979903 1183604448 /nfs/dbraw/zinc/60/44/48/1183604448.db2.gz SATFQMNGHGVBCQ-UHFFFAOYSA-N -1 2 323.707 3.345 20 0 DGADLM O=C([O-])c1cc(NC(=O)c2cccc(Cl)c2O)ccc1F ZINC001610813516 1193409657 /nfs/dbraw/zinc/40/96/57/1193409657.db2.gz IAEJLEQKUJJDPY-UHFFFAOYSA-N -1 2 309.680 3.135 20 0 DGADLM Cc1cc(=O)[nH]c(C[N@@H+]2CCc3cc(C(C)(C)C)ccc3C2)n1 ZINC001653272085 1195706161 /nfs/dbraw/zinc/70/61/61/1195706161.db2.gz ZKTFIUCWJATUPR-UHFFFAOYSA-N -1 2 311.429 3.346 20 0 DGADLM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc(F)c(O)c(F)c2)cc1 ZINC001589521414 987166283 /nfs/dbraw/zinc/16/62/83/987166283.db2.gz NZBKMZSQVIOSBV-QMMMGPOBSA-N -1 2 321.279 3.111 20 0 DGADLM COc1cc(C[N@@H+](C)Cc2cc(F)c(O)cc2F)cc(OC)c1 ZINC001144666178 1095757603 /nfs/dbraw/zinc/75/76/03/1095757603.db2.gz IHDQXRBKPVQJBB-UHFFFAOYSA-N -1 2 323.339 3.320 20 0 DGADLM C[C@@H]1CC[C@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)C[C@H]1C ZINC001234333224 1098537972 /nfs/dbraw/zinc/53/79/72/1098537972.db2.gz VXFPAYBVJLXDDX-GYSYKLTISA-N -1 2 300.291 3.362 20 0 DGADLM C[C@@H]1CC[C@H](Oc2ccc(O[P@](=O)([O-])O)cc2)C[C@H]1C ZINC001234333224 1098537975 /nfs/dbraw/zinc/53/79/75/1098537975.db2.gz VXFPAYBVJLXDDX-GYSYKLTISA-N -1 2 300.291 3.362 20 0 DGADLM O=[P@@]([O-])(O)c1ccc(C2=CC[C@H](C(F)(F)F)CC2)cc1 ZINC001236257591 1099504177 /nfs/dbraw/zinc/50/41/77/1099504177.db2.gz BXRUSISBOGAJHU-NSHDSACASA-N -1 2 306.220 3.235 20 0 DGADLM O=[P@]([O-])(O)c1ccc(C2=CC[C@H](C(F)(F)F)CC2)cc1 ZINC001236257591 1099504185 /nfs/dbraw/zinc/50/41/85/1099504185.db2.gz BXRUSISBOGAJHU-NSHDSACASA-N -1 2 306.220 3.235 20 0 DGADLM CCc1c(Cl)cc(NS(=O)(=O)CC2CC2)c([O-])c1Cl ZINC001188974361 1099917912 /nfs/dbraw/zinc/91/79/12/1099917912.db2.gz VVDDGJMOIPEDMB-UHFFFAOYSA-N -1 2 324.229 3.413 20 0 DGADLM O=c1[nH]c(Cl)c(C[N@@H+]2CC[C@@H]2COCc2ccccc2)s1 ZINC001237149955 1099999444 /nfs/dbraw/zinc/99/94/44/1099999444.db2.gz AYUYBMUWZXAHQQ-GFCCVEGCSA-N -1 2 324.833 3.293 20 0 DGADLM CCOC(=O)NC(=S)Nc1c(Cl)ccc([O-])c1Cl ZINC001195486985 1101147660 /nfs/dbraw/zinc/14/76/60/1101147660.db2.gz OWCRZVXSLVEXQG-UHFFFAOYSA-N -1 2 309.174 3.142 20 0 DGADLM CCCCOc1ccccc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001241021560 1101223689 /nfs/dbraw/zinc/22/36/89/1101223689.db2.gz LXNMYNIOKUCCLV-UHFFFAOYSA-N -1 2 306.298 3.336 20 0 DGADLM CCCCOc1ccccc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001241021560 1101223695 /nfs/dbraw/zinc/22/36/95/1101223695.db2.gz LXNMYNIOKUCCLV-UHFFFAOYSA-N -1 2 306.298 3.336 20 0 DGADLM Cc1nc2cc(-c3ccc([P@@](=O)([O-])O)cc3)ccc2s1 ZINC001243938781 1103065711 /nfs/dbraw/zinc/06/57/11/1103065711.db2.gz HOVKELARKGFYRU-UHFFFAOYSA-N -1 2 305.295 3.075 20 0 DGADLM Cc1nc2cc(-c3ccc([P@](=O)([O-])O)cc3)ccc2s1 ZINC001243938781 1103065729 /nfs/dbraw/zinc/06/57/29/1103065729.db2.gz HOVKELARKGFYRU-UHFFFAOYSA-N -1 2 305.295 3.075 20 0 DGADLM CC(C)COc1cccc(-c2ccc([P@@](=O)([O-])O)cc2)c1 ZINC001244194956 1103272677 /nfs/dbraw/zinc/27/26/77/1103272677.db2.gz HVNDALUJURDBCE-UHFFFAOYSA-N -1 2 306.298 3.191 20 0 DGADLM CC(C)COc1cccc(-c2ccc([P@](=O)([O-])O)cc2)c1 ZINC001244194956 1103272695 /nfs/dbraw/zinc/27/26/95/1103272695.db2.gz HVNDALUJURDBCE-UHFFFAOYSA-N -1 2 306.298 3.191 20 0 DGADLM Cc1cc(C2=NN(c3cccc(C(=O)[O-])c3)C(=O)C2)ccc1F ZINC001245944119 1104331616 /nfs/dbraw/zinc/33/16/16/1104331616.db2.gz NBQUGJIHJUCCHG-UHFFFAOYSA-N -1 2 312.300 3.391 20 0 DGADLM Cc1cc(=O)[nH]c(C[N@H+]2CC=C(c3cccc(C)c3C)CC2)n1 ZINC001308147193 1111384228 /nfs/dbraw/zinc/38/42/28/1111384228.db2.gz YTJVVFKIITZHHA-UHFFFAOYSA-N -1 2 309.413 3.397 20 0 DGADLM CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cc(O)ccc1Cl ZINC000625204259 401058793 /nfs/dbraw/zinc/05/87/93/401058793.db2.gz NJYJPFGHZBXLDO-CABCVRRESA-N -1 2 324.852 3.267 20 0 DGADLM CN(C)[C@@H](C[NH2+]Cc1c(F)ccc(O)c1F)c1ccsc1 ZINC000352080343 433899630 /nfs/dbraw/zinc/89/96/30/433899630.db2.gz XLZODJOLSPPBNR-ZDUSSCGKSA-N -1 2 312.385 3.124 20 0 DGADLM Cc1[nH]c2ccc(NS(=O)(=O)c3ccc(C)c(F)c3)cc2[nH+]1 ZINC000340149844 433940143 /nfs/dbraw/zinc/94/01/43/433940143.db2.gz JCFDUPFQUQLHNK-UHFFFAOYSA-N -1 2 319.361 3.120 20 0 DGADLM CC[C@H](C)[C@H](C)C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000506629192 294273480 /nfs/dbraw/zinc/27/34/80/294273480.db2.gz XQBMFGGHFMCJEO-IUCAKERBSA-N -1 2 308.332 3.371 20 0 DGADLM CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450896793 434470920 /nfs/dbraw/zinc/47/09/20/434470920.db2.gz OQOUBNZRUXRSCK-QMTHXVAHSA-N -1 2 323.343 3.384 20 0 DGADLM C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)s1)c1[nH]cc[nH+]1 ZINC000558454248 435092940 /nfs/dbraw/zinc/09/29/40/435092940.db2.gz DHBJLQIUGVCNLB-SSDOTTSWSA-N -1 2 321.793 3.006 20 0 DGADLM C[N@@H+](Cc1ccns1)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000639805297 435426985 /nfs/dbraw/zinc/42/69/85/435426985.db2.gz BGGBPUWEIFOGKD-UHFFFAOYSA-N -1 2 302.321 3.500 20 0 DGADLM C[C@H](NC(=O)c1cccc2[nH]nnc21)c1cccc(C2CC2)c1 ZINC000568475744 435440426 /nfs/dbraw/zinc/44/04/26/435440426.db2.gz GALZIHCVPZHHSO-NSHDSACASA-N -1 2 306.369 3.326 20 0 DGADLM C[N@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccccc1Cl ZINC000825954121 628814191 /nfs/dbraw/zinc/81/41/91/628814191.db2.gz WHGXAEYMTDCXSY-UHFFFAOYSA-N -1 2 319.821 3.214 20 0 DGADLM C[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccccc1Cl ZINC000825954121 628814195 /nfs/dbraw/zinc/81/41/95/628814195.db2.gz WHGXAEYMTDCXSY-UHFFFAOYSA-N -1 2 319.821 3.214 20 0 DGADLM O=C([O-])c1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)o1 ZINC001602324078 1192969304 /nfs/dbraw/zinc/96/93/04/1192969304.db2.gz CZPSXFJFOMITBW-UHFFFAOYSA-N -1 2 316.096 3.243 20 0 DGADLM CC(C)c1ccc(C2(C(=O)NOCCCC(=O)[O-])CCC2)cc1 ZINC001603994685 1193041827 /nfs/dbraw/zinc/04/18/27/1193041827.db2.gz LCNMTYYJDSVRDA-UHFFFAOYSA-N -1 2 319.401 3.144 20 0 DGADLM CC(C)(C)CC[C@H](NC(=O)c1cccc(Cl)c1O)C(=O)[O-] ZINC001588647106 959743911 /nfs/dbraw/zinc/74/39/11/959743911.db2.gz BVGPDVRIMYQHMS-NSHDSACASA-N -1 2 313.781 3.055 20 0 DGADLM Cc1cc(NCCOP(=O)([O-])[O-])[nH+]c2c1cccc2C(C)C ZINC001168589747 1090591562 /nfs/dbraw/zinc/59/15/62/1090591562.db2.gz OCCSCCJNFORHDE-UHFFFAOYSA-N -1 2 324.317 3.188 20 0 DGADLM Oc1cnccc1C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC001140275807 1091813183 /nfs/dbraw/zinc/81/31/83/1091813183.db2.gz SLHVDDGCWNAFNJ-LJQANCHMSA-N -1 2 305.381 3.194 20 0 DGADLM C[C@@H]1CN(Cc2cc(Cl)c(O)c(Cl)c2)C[C@H](C)[N@H+]1C ZINC001140832104 1092023245 /nfs/dbraw/zinc/02/32/45/1092023245.db2.gz ALLYQQOFLNZFHF-AOOOYVTPSA-N -1 2 303.233 3.223 20 0 DGADLM Oc1cc(F)c(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c(F)c1 ZINC001144554830 1095710064 /nfs/dbraw/zinc/71/00/64/1095710064.db2.gz JCIPQYSGLPHPOQ-LBPRGKRZSA-N -1 2 304.340 3.445 20 0 DGADLM C[C@@H](Oc1ccc(C[C@H]2SC(=O)NC2=O)cc1)C1=CC=C[CH]1 ZINC001229621202 1097354071 /nfs/dbraw/zinc/35/40/71/1097354071.db2.gz ASVDNEGEOICSSJ-IAQYHMDHSA-N -1 2 314.386 3.048 20 0 DGADLM C[C@@H]1CC[C@H](C)[C@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)C1 ZINC001234333865 1098539318 /nfs/dbraw/zinc/53/93/18/1098539318.db2.gz ZZSOPNNPEWRATM-UHIISALHSA-N -1 2 300.291 3.362 20 0 DGADLM C[C@@H]1CC[C@H](C)[C@H](Oc2ccc(O[P@](=O)([O-])O)cc2)C1 ZINC001234333865 1098539323 /nfs/dbraw/zinc/53/93/23/1098539323.db2.gz ZZSOPNNPEWRATM-UHIISALHSA-N -1 2 300.291 3.362 20 0 DGADLM COc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cc1C(C)C ZINC001244140660 1103232252 /nfs/dbraw/zinc/23/22/52/1103232252.db2.gz MZDOIQLYFGOXPL-UHFFFAOYSA-N -1 2 306.298 3.289 20 0 DGADLM COc1ccc(-c2ccc([P@](=O)([O-])O)cc2)cc1C(C)C ZINC001244140660 1103232258 /nfs/dbraw/zinc/23/22/58/1103232258.db2.gz MZDOIQLYFGOXPL-UHFFFAOYSA-N -1 2 306.298 3.289 20 0 DGADLM COc1cc(-c2ccc([P@@](=O)([O-])O)cc2)ccc1C1CC1 ZINC001244892406 1103746783 /nfs/dbraw/zinc/74/67/83/1103746783.db2.gz GPKLWFPAVUVSAN-UHFFFAOYSA-N -1 2 304.282 3.043 20 0 DGADLM COc1cc(-c2ccc([P@](=O)([O-])O)cc2)ccc1C1CC1 ZINC001244892406 1103746793 /nfs/dbraw/zinc/74/67/93/1103746793.db2.gz GPKLWFPAVUVSAN-UHFFFAOYSA-N -1 2 304.282 3.043 20 0 DGADLM CCOc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cc1CC ZINC001245870004 1104275692 /nfs/dbraw/zinc/27/56/92/1104275692.db2.gz FQFCLWJAPHXSJK-UHFFFAOYSA-N -1 2 306.298 3.118 20 0 DGADLM CCOc1ccc(-c2ccc([P@](=O)([O-])O)cc2)cc1CC ZINC001245870004 1104275698 /nfs/dbraw/zinc/27/56/98/1104275698.db2.gz FQFCLWJAPHXSJK-UHFFFAOYSA-N -1 2 306.298 3.118 20 0 DGADLM Cc1ccccc1-c1cc(=O)n(Cc2ccc(C(=O)[O-])cc2)[nH]1 ZINC001245935513 1104323713 /nfs/dbraw/zinc/32/37/13/1104323713.db2.gz FXPGDZGKLJSIDA-UHFFFAOYSA-N -1 2 308.337 3.311 20 0 DGADLM COc1cc(NS(=O)(=O)c2ccc(C)s2)ccc1[S-] ZINC001260684915 1107294156 /nfs/dbraw/zinc/29/41/56/1107294156.db2.gz DCYHHNRPNDQUOA-UHFFFAOYSA-N -1 2 315.441 3.155 20 0 DGADLM CCOc1cc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)cc(Cl)c1O ZINC000459516340 243397512 /nfs/dbraw/zinc/39/75/12/243397512.db2.gz WFXHIZCMOUECIP-NSHDSACASA-N -1 2 313.825 3.444 20 0 DGADLM Cc1nc2sccn2c1C[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000274464077 432671058 /nfs/dbraw/zinc/67/10/58/432671058.db2.gz CCZBBHWHCIEXNL-UHFFFAOYSA-N -1 2 305.378 3.181 20 0 DGADLM Cc1cnc(C2CC[NH+]([C@H](C)c3nc(C)cc(=O)[nH]3)CC2)s1 ZINC000279022478 432927103 /nfs/dbraw/zinc/92/71/03/432927103.db2.gz CBHZVKSTMFQTGT-GFCCVEGCSA-N -1 2 318.446 3.196 20 0 DGADLM CCc1occc1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000373903004 293329709 /nfs/dbraw/zinc/32/97/09/293329709.db2.gz IMHSCDANNMBDEK-UHFFFAOYSA-N -1 2 318.283 3.158 20 0 DGADLM Oc1ccc(F)c(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1F ZINC000293977510 433949014 /nfs/dbraw/zinc/94/90/14/433949014.db2.gz RAOOZRXEPMEVFY-GOEBONIOSA-N -1 2 309.356 3.204 20 0 DGADLM CC(C)[C@@H](C)CC(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000478323245 435295776 /nfs/dbraw/zinc/29/57/76/435295776.db2.gz FAUVWJVNXHCQLS-VIFPVBQESA-N -1 2 308.332 3.371 20 0 DGADLM C[C@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)c2ccccc2S1 ZINC000656499199 435963024 /nfs/dbraw/zinc/96/30/24/435963024.db2.gz BTDLDBKGTAUZJZ-NSHDSACASA-N -1 2 324.409 3.489 20 0 DGADLM C[C@@H]1CC[N@@H+](Cc2cccc(O)c2Br)C[C@@H]1F ZINC000656531908 435966760 /nfs/dbraw/zinc/96/67/60/435966760.db2.gz WDVIYJGLBIGVJG-KOLCDFICSA-N -1 2 302.187 3.335 20 0 DGADLM O=C(Nc1nc(-c2ccncc2)n[nH]1)c1cc2cc(F)ccc2o1 ZINC000562425586 315019074 /nfs/dbraw/zinc/01/90/74/315019074.db2.gz YVZZCIQUWUHVBH-UHFFFAOYSA-N -1 2 323.287 3.004 20 0 DGADLM CC[C@@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000736401524 574747937 /nfs/dbraw/zinc/74/79/37/574747937.db2.gz JHARWFLSERBFRA-GFCCVEGCSA-N -1 2 308.389 3.041 20 0 DGADLM Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)[O-])c2)c(F)c1 ZINC000738655283 574876579 /nfs/dbraw/zinc/87/65/79/574876579.db2.gz OZYKSDOIUOTIFN-UHFFFAOYSA-N -1 2 324.333 3.025 20 0 DGADLM C[C@H](CC(=O)[O-])CC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC001592391109 977934184 /nfs/dbraw/zinc/93/41/84/977934184.db2.gz BLLMGQCKSSAYJY-LURJTMIESA-N -1 2 306.145 3.138 20 0 DGADLM CC(C)[C@@H]1CCC2=NN(c3ccc(F)c(C(=O)[O-])c3)C(=O)[C@@H]2C1 ZINC001591081989 991596278 /nfs/dbraw/zinc/59/62/78/991596278.db2.gz OLHRFIMKEQHPLM-ZWNOBZJWSA-N -1 2 318.348 3.299 20 0 DGADLM O=c1ccc2c([nH]1)CC[C@@H](Nc1cc([S-])cc(S)c1)C2 ZINC001163561508 1090211983 /nfs/dbraw/zinc/21/19/83/1090211983.db2.gz CFDYNYFLCHMBQB-SNVBAGLBSA-N -1 2 304.440 3.334 20 0 DGADLM Cc1ccc(OC(C)C)cc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001222154048 1095461596 /nfs/dbraw/zinc/46/15/96/1095461596.db2.gz CDRKIFDGWMJIBL-UHFFFAOYSA-N -1 2 306.298 3.252 20 0 DGADLM Cc1ccc(OC(C)C)cc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001222154048 1095461598 /nfs/dbraw/zinc/46/15/98/1095461598.db2.gz CDRKIFDGWMJIBL-UHFFFAOYSA-N -1 2 306.298 3.252 20 0 DGADLM C[C@@H]1CCC[C@H](C)[C@H]1Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234331919 1098537608 /nfs/dbraw/zinc/53/76/08/1098537608.db2.gz KVZGAAKVSKSJPN-YABSGUDNSA-N -1 2 300.291 3.362 20 0 DGADLM C[C@@H]1CCC[C@H](C)[C@H]1Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234331919 1098537610 /nfs/dbraw/zinc/53/76/10/1098537610.db2.gz KVZGAAKVSKSJPN-YABSGUDNSA-N -1 2 300.291 3.362 20 0 DGADLM CCOc1cc(C)c(-c2ccc([P@@](=O)([O-])O)cc2)c(C)c1 ZINC001241203342 1101294764 /nfs/dbraw/zinc/29/47/64/1101294764.db2.gz KKKHZVPAVNOSOJ-UHFFFAOYSA-N -1 2 306.298 3.172 20 0 DGADLM CCOc1cc(C)c(-c2ccc([P@](=O)([O-])O)cc2)c(C)c1 ZINC001241203342 1101294765 /nfs/dbraw/zinc/29/47/65/1101294765.db2.gz KKKHZVPAVNOSOJ-UHFFFAOYSA-N -1 2 306.298 3.172 20 0 DGADLM Cc1ccc2ccc(F)c(-c3ccc([P@@](=O)([O-])O)cc3)c2n1 ZINC001242053335 1101882819 /nfs/dbraw/zinc/88/28/19/1101882819.db2.gz CIDHEUKELNLBLD-UHFFFAOYSA-N -1 2 317.256 3.152 20 0 DGADLM Cc1ccc2ccc(F)c(-c3ccc([P@](=O)([O-])O)cc3)c2n1 ZINC001242053335 1101882836 /nfs/dbraw/zinc/88/28/36/1101882836.db2.gz CIDHEUKELNLBLD-UHFFFAOYSA-N -1 2 317.256 3.152 20 0 DGADLM Oc1ccc(Cl)c(C[N@@H+]2CCOc3cc(O)ccc3C2)c1 ZINC000625422548 401123806 /nfs/dbraw/zinc/12/38/06/401123806.db2.gz GLJXEERKUJUILY-UHFFFAOYSA-N -1 2 305.761 3.146 20 0 DGADLM C[C@@H](C(=O)Nc1nc(-c2ccccc2F)n[nH]1)c1ccccc1 ZINC000163120656 432843696 /nfs/dbraw/zinc/84/36/96/432843696.db2.gz GAPIWZVWQCVFBQ-LLVKDONJSA-N -1 2 310.332 3.353 20 0 DGADLM C[C@H](CN=c1nc(-c2ccccc2)[nH]s1)[N@@H+]1CCC[C@H](C)C1 ZINC000462779103 434927066 /nfs/dbraw/zinc/92/70/66/434927066.db2.gz QGVFVJPVECXMLD-UONOGXRCSA-N -1 2 316.474 3.159 20 0 DGADLM COC(=O)[C@@H](C)C(=O)c1cccc(-c2ccccc2C(=O)[O-])c1 ZINC000578239756 435070619 /nfs/dbraw/zinc/07/06/19/435070619.db2.gz REHWGFOGSZGWMA-NSHDSACASA-N -1 2 312.321 3.044 20 0 DGADLM COC(=O)C(C)=C(O)c1cccc(-c2ccccc2C(=O)[O-])c1 ZINC000578239756 435070623 /nfs/dbraw/zinc/07/06/23/435070623.db2.gz REHWGFOGSZGWMA-NSHDSACASA-N -1 2 312.321 3.044 20 0 DGADLM Cc1ccc(CC(C)(C)NC(=O)c2cccc3[nH]nnc32)cc1 ZINC000517018920 435570339 /nfs/dbraw/zinc/57/03/39/435570339.db2.gz XTIJYMIMUMCMJT-UHFFFAOYSA-N -1 2 308.385 3.017 20 0 DGADLM CC[C@H](Sc1ccc(=N[C@H](C)c2ccccc2)[nH]n1)C(=O)[O-] ZINC000581313977 324104174 /nfs/dbraw/zinc/10/41/74/324104174.db2.gz YBNCPYRPOYMVSO-YPMHNXCESA-N -1 2 317.414 3.027 20 0 DGADLM CC(C)c1ccc(NC(=O)c2ccc3[nH]nnc3c2)c(C(=O)[O-])c1 ZINC000736514883 574756017 /nfs/dbraw/zinc/75/60/17/574756017.db2.gz DOIMFILMMKEORR-UHFFFAOYSA-N -1 2 324.340 3.032 20 0 DGADLM O=C([O-])NCCCCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000834236058 629679789 /nfs/dbraw/zinc/67/97/89/629679789.db2.gz ZWGUAQNPQDUPOB-UHFFFAOYSA-N -1 2 321.160 3.075 20 0 DGADLM Oc1ccc(CN(Cc2c[nH]nn2)C2CCCCC2)c(F)c1F ZINC001578051943 1191920729 /nfs/dbraw/zinc/92/07/29/1191920729.db2.gz XQVLRZXTIRDHKV-UHFFFAOYSA-N -1 2 322.359 3.123 20 0 DGADLM C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1cc2ccccc2o1 ZINC001605404233 1193149411 /nfs/dbraw/zinc/14/94/11/1193149411.db2.gz DHDIJDGWKZBYOV-SNVBAGLBSA-N -1 2 309.329 3.057 20 0 DGADLM C[C@@H](NCc1ccc(-c2nn[nH]n2)o1)c1cc2ccccc2o1 ZINC001605404233 1193149418 /nfs/dbraw/zinc/14/94/18/1193149418.db2.gz DHDIJDGWKZBYOV-SNVBAGLBSA-N -1 2 309.329 3.057 20 0 DGADLM O=C([O-])CCc1cccc(NC(=O)c2cccc(Cl)c2O)c1 ZINC001595064525 951538812 /nfs/dbraw/zinc/53/88/12/951538812.db2.gz ZEDXPCMJNQLEPZ-UHFFFAOYSA-N -1 2 319.744 3.315 20 0 DGADLM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc(F)c(O)c(F)c2)cc1 ZINC001589521413 987166139 /nfs/dbraw/zinc/16/61/39/987166139.db2.gz NZBKMZSQVIOSBV-MRVPVSSYSA-N -1 2 321.279 3.111 20 0 DGADLM CC(C)[C@H]1CCC2=NN(c3ccc(F)c(C(=O)[O-])c3)C(=O)[C@H]2C1 ZINC001591081983 991595973 /nfs/dbraw/zinc/59/59/73/991595973.db2.gz OLHRFIMKEQHPLM-GWCFXTLKSA-N -1 2 318.348 3.299 20 0 DGADLM Oc1cc(Cl)c(C[N@@H+]2CCC[C@@]3(CCO3)C2)c(Cl)c1 ZINC001142114274 1086813553 /nfs/dbraw/zinc/81/35/53/1086813553.db2.gz DMJTXMZEXGKJBZ-CQSZACIVSA-N -1 2 302.201 3.454 20 0 DGADLM C[C@H](Oc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)C1=CC=C[CH]1 ZINC001229621205 1097353951 /nfs/dbraw/zinc/35/39/51/1097353951.db2.gz ASVDNEGEOICSSJ-NHYWBVRUSA-N -1 2 314.386 3.048 20 0 DGADLM CC[N@H+](C)c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001176243182 1098294677 /nfs/dbraw/zinc/29/46/77/1098294677.db2.gz FNIFFHZVLQHLTA-UHFFFAOYSA-N -1 2 314.341 3.283 20 0 DGADLM CC[N@@H+](C)c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001176243182 1098294681 /nfs/dbraw/zinc/29/46/81/1098294681.db2.gz FNIFFHZVLQHLTA-UHFFFAOYSA-N -1 2 314.341 3.283 20 0 DGADLM C[C@H]1CCC[C@H](C)C1Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234331915 1098537640 /nfs/dbraw/zinc/53/76/40/1098537640.db2.gz KVZGAAKVSKSJPN-QWRGUYRKSA-N -1 2 300.291 3.362 20 0 DGADLM C[C@H]1CCC[C@H](C)C1Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234331915 1098537642 /nfs/dbraw/zinc/53/76/42/1098537642.db2.gz KVZGAAKVSKSJPN-QWRGUYRKSA-N -1 2 300.291 3.362 20 0 DGADLM COc1ccc(C(C)C)cc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001239661380 1100718168 /nfs/dbraw/zinc/71/81/68/1100718168.db2.gz BAGMQRMVMYNGOH-UHFFFAOYSA-N -1 2 306.298 3.289 20 0 DGADLM COc1ccc(C(C)C)cc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001239661380 1100718169 /nfs/dbraw/zinc/71/81/69/1100718169.db2.gz BAGMQRMVMYNGOH-UHFFFAOYSA-N -1 2 306.298 3.289 20 0 DGADLM Cc1cc(F)c2[nH]ccc2c1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001243887493 1103030927 /nfs/dbraw/zinc/03/09/27/1103030927.db2.gz GZTKFIFQCUICQD-UHFFFAOYSA-N -1 2 305.245 3.085 20 0 DGADLM Cc1cc(F)c2[nH]ccc2c1-c1ccc([P@](=O)([O-])O)cc1 ZINC001243887493 1103030944 /nfs/dbraw/zinc/03/09/44/1103030944.db2.gz GZTKFIFQCUICQD-UHFFFAOYSA-N -1 2 305.245 3.085 20 0 DGADLM CC1(C)CCc2cc(-c3ccc([P@@](=O)([O-])O)cc3)ccc2O1 ZINC001243918807 1103052704 /nfs/dbraw/zinc/05/27/04/1103052704.db2.gz IARIOUOHVRYAGW-UHFFFAOYSA-N -1 2 318.309 3.260 20 0 DGADLM CC1(C)CCc2cc(-c3ccc([P@](=O)([O-])O)cc3)ccc2O1 ZINC001243918807 1103052723 /nfs/dbraw/zinc/05/27/23/1103052723.db2.gz IARIOUOHVRYAGW-UHFFFAOYSA-N -1 2 318.309 3.260 20 0 DGADLM O=S(=O)(Nc1ccc([S-])cc1)c1c(F)cc(F)cc1F ZINC001260353724 1107271988 /nfs/dbraw/zinc/27/19/88/1107271988.db2.gz CWCZISSAHISMCE-UHFFFAOYSA-N -1 2 319.329 3.193 20 0 DGADLM C[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccc([O-])c(F)c1F ZINC001308968260 1111501366 /nfs/dbraw/zinc/50/13/66/1111501366.db2.gz NORPKNDLHMDAIB-UHFFFAOYSA-N -1 2 315.360 3.224 20 0 DGADLM CC[C@@]1(C)COCC[N@@H+]1Cc1cccc(O)c1Br ZINC000459515678 243396675 /nfs/dbraw/zinc/39/66/75/243396675.db2.gz DQGNXNSSRRVJTB-AWEZNQCLSA-N -1 2 314.223 3.156 20 0 DGADLM CCOc1cc(C[N@@H+]2CCc3ncsc3C2)cc(Cl)c1O ZINC000459514405 243397292 /nfs/dbraw/zinc/39/72/92/243397292.db2.gz PFLGVTRTKCGKPU-UHFFFAOYSA-N -1 2 324.833 3.459 20 0 DGADLM CCc1cc(=O)[nH]c(C[N@@H+](CC)Cc2ccc(Cl)cc2)n1 ZINC000344412393 254268457 /nfs/dbraw/zinc/26/84/57/254268457.db2.gz RRSKQKHVKDSMGF-UHFFFAOYSA-N -1 2 305.809 3.420 20 0 DGADLM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cccc2[nH]nnc21 ZINC000542821475 314101030 /nfs/dbraw/zinc/10/10/30/314101030.db2.gz YHYONLGBGXHRKP-ZDUSSCGKSA-N -1 2 322.412 3.444 20 0 DGADLM O=C([O-])CC1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCC1 ZINC000579710166 323906938 /nfs/dbraw/zinc/90/69/38/323906938.db2.gz DOFFVCRGIGOKFQ-UHFFFAOYSA-N -1 2 318.156 3.283 20 0 DGADLM CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1ccccc1F ZINC000824293280 628647611 /nfs/dbraw/zinc/64/76/11/628647611.db2.gz IXZRBEHYJUVJGQ-UHFFFAOYSA-N -1 2 315.352 3.009 20 0 DGADLM CC(C)N(Cc1ccc(-c2nn[nH]n2)o1)Cc1ccccc1F ZINC000824293280 628647614 /nfs/dbraw/zinc/64/76/14/628647614.db2.gz IXZRBEHYJUVJGQ-UHFFFAOYSA-N -1 2 315.352 3.009 20 0 DGADLM COc1cnc([C@@H]2CCC[N@@H+]2CCCc2ccsc2)[nH]c1=O ZINC000934274747 655762171 /nfs/dbraw/zinc/76/21/71/655762171.db2.gz WHIQOYADGUTSMV-ZDUSSCGKSA-N -1 2 319.430 3.022 20 0 DGADLM Cc1[nH]nc(C(=O)Nc2cc(Cl)c(O)c3ccccc23)c1[O-] ZINC001629929696 1194259637 /nfs/dbraw/zinc/25/96/37/1194259637.db2.gz XHEOEENMAPKUPG-UHFFFAOYSA-N -1 2 317.732 3.188 20 0 DGADLM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc(F)cc(F)c2O)cc1 ZINC001589520795 987162857 /nfs/dbraw/zinc/16/28/57/987162857.db2.gz CWGSLAIYBQLFCR-QMMMGPOBSA-N -1 2 321.279 3.111 20 0 DGADLM C[C@H]1CC[N@H+](Cc2cc(F)c(O)c(Cl)c2)CC[C@@]1(C)O ZINC001237984052 1090332445 /nfs/dbraw/zinc/33/24/45/1090332445.db2.gz LDHULXYVUZQTGJ-ZUZCIYMTSA-N -1 2 301.789 3.168 20 0 DGADLM Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc(F)cc(F)c2O)c1 ZINC001151011585 1092852430 /nfs/dbraw/zinc/85/24/30/1092852430.db2.gz LNOUVADZXXJWHS-UHFFFAOYSA-N -1 2 320.339 3.293 20 0 DGADLM Oc1cc(F)c(C[NH+]2CCC(c3cccnc3)CC2)cc1F ZINC001144659951 1095757478 /nfs/dbraw/zinc/75/74/78/1095757478.db2.gz RMUCIVPHEOPTBO-UHFFFAOYSA-N -1 2 304.340 3.445 20 0 DGADLM S=c1nc2ccccc2c(OC2C[NH+](Cc3ccccc3)C2)[nH]1 ZINC001228759436 1097184065 /nfs/dbraw/zinc/18/40/65/1097184065.db2.gz BJOUOCWTKNDYHL-UHFFFAOYSA-N -1 2 323.421 3.182 20 0 DGADLM Cc1ccnn1C1CC[NH+](Cc2cc(O)c(F)c(F)c2)CC1 ZINC001232974520 1098190683 /nfs/dbraw/zinc/19/06/83/1098190683.db2.gz WJCZUAZYOOWYBW-UHFFFAOYSA-N -1 2 307.344 3.012 20 0 DGADLM CCc1[nH+]ccc(C)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237499 1098293211 /nfs/dbraw/zinc/29/32/11/1098293211.db2.gz IHEJZFGUFMURDA-UHFFFAOYSA-N -1 2 300.314 3.092 20 0 DGADLM O=[P@@]([O-])(O)Oc1ccc(O[C@H]2CCc3cc(F)ccc32)cc1 ZINC001234334136 1098538613 /nfs/dbraw/zinc/53/86/13/1098538613.db2.gz DIVQCWXVNPSAQG-HNNXBMFYSA-N -1 2 324.244 3.364 20 0 DGADLM O=[P@]([O-])(O)Oc1ccc(O[C@H]2CCc3cc(F)ccc32)cc1 ZINC001234334136 1098538616 /nfs/dbraw/zinc/53/86/16/1098538616.db2.gz DIVQCWXVNPSAQG-HNNXBMFYSA-N -1 2 324.244 3.364 20 0 DGADLM CC(C)[C@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)C(F)(F)F ZINC001234334619 1098538812 /nfs/dbraw/zinc/53/88/12/1098538812.db2.gz FHYMFJNWQMFEAF-JTQLQIEISA-N -1 2 314.196 3.124 20 0 DGADLM CC(C)[C@H](Oc1ccc(O[P@](=O)([O-])O)cc1)C(F)(F)F ZINC001234334619 1098538818 /nfs/dbraw/zinc/53/88/18/1098538818.db2.gz FHYMFJNWQMFEAF-JTQLQIEISA-N -1 2 314.196 3.124 20 0 DGADLM COc1ccccc1[C@H](C)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234334565 1098538971 /nfs/dbraw/zinc/53/89/71/1098538971.db2.gz DOKOBGANWSJCPH-NSHDSACASA-N -1 2 324.269 3.307 20 0 DGADLM COc1ccccc1[C@H](C)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234334565 1098538975 /nfs/dbraw/zinc/53/89/75/1098538975.db2.gz DOKOBGANWSJCPH-NSHDSACASA-N -1 2 324.269 3.307 20 0 DGADLM COC(=O)c1nc2ccc(-c3ccc(F)c(F)c3Cl)[nH]c-2n1 ZINC001205688619 1101091993 /nfs/dbraw/zinc/09/19/93/1101091993.db2.gz LKEWSEZSUIGZLQ-UHFFFAOYSA-N -1 2 323.686 3.295 20 0 DGADLM COc1cc2ccccc2c(-c2ccc([P@@](=O)([O-])O)cc2)c1 ZINC001242609799 1102238005 /nfs/dbraw/zinc/23/80/05/1102238005.db2.gz XLZSVGDHVRFZPZ-UHFFFAOYSA-N -1 2 314.277 3.318 20 0 DGADLM COc1cc2ccccc2c(-c2ccc([P@](=O)([O-])O)cc2)c1 ZINC001242609799 1102238016 /nfs/dbraw/zinc/23/80/16/1102238016.db2.gz XLZSVGDHVRFZPZ-UHFFFAOYSA-N -1 2 314.277 3.318 20 0 DGADLM CC(C)COc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cc1 ZINC001243435502 1102719802 /nfs/dbraw/zinc/71/98/02/1102719802.db2.gz JILRQWLBDZRLPS-UHFFFAOYSA-N -1 2 306.298 3.191 20 0 DGADLM CC(C)COc1ccc(-c2ccc([P@](=O)([O-])O)cc2)cc1 ZINC001243435502 1102719815 /nfs/dbraw/zinc/71/98/15/1102719815.db2.gz JILRQWLBDZRLPS-UHFFFAOYSA-N -1 2 306.298 3.191 20 0 DGADLM O=C([O-])c1ccccc1N1N=C(c2ccc(F)c(F)c2)CC1=O ZINC001245944632 1104331946 /nfs/dbraw/zinc/33/19/46/1104331946.db2.gz CDTDWWASBKFEPY-UHFFFAOYSA-N -1 2 316.263 3.221 20 0 DGADLM CSc1ccccc1[N-]C(=S)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001249695827 1105356975 /nfs/dbraw/zinc/35/69/75/1105356975.db2.gz QWSOSCOUZCUOJT-ZDUSSCGKSA-N -1 2 321.515 3.275 20 0 DGADLM COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000177917226 432673694 /nfs/dbraw/zinc/67/36/94/432673694.db2.gz ZQCANPJFARPJBD-LLVKDONJSA-N -1 2 321.808 3.346 20 0 DGADLM CCOc1ccccc1C[N@H+](C)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000177922582 432674629 /nfs/dbraw/zinc/67/46/29/432674629.db2.gz ORSWUEVERJWPFF-ZDUSSCGKSA-N -1 2 301.390 3.082 20 0 DGADLM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc(F)c(O)c(F)c1 ZINC000186870384 660578594 /nfs/dbraw/zinc/57/85/94/660578594.db2.gz UBWPEYWQJPFRSD-UHFFFAOYSA-N -1 2 322.292 3.353 20 0 DGADLM Cc1ccc(C(C)(C)CNc2[nH+]ccc(C)c2-c2nn[nH]n2)cc1 ZINC001581175551 1192055815 /nfs/dbraw/zinc/05/58/15/1192055815.db2.gz YXUWLXMYRPAQLR-UHFFFAOYSA-N -1 2 322.416 3.268 20 0 DGADLM CN(C(=O)c1cccc(Cl)c1O)c1ccccc1C(=O)[O-] ZINC001605984945 1193187058 /nfs/dbraw/zinc/18/70/58/1193187058.db2.gz OCCNTMHRFRDDNZ-UHFFFAOYSA-N -1 2 305.717 3.020 20 0 DGADLM O=C([O-])C1(C(=O)Nc2cc(Cl)cc(Cl)c2O)CC=CC1 ZINC001574633176 962308305 /nfs/dbraw/zinc/30/83/05/962308305.db2.gz LMOBDYZCYHDMQF-UHFFFAOYSA-N -1 2 316.140 3.059 20 0 DGADLM CC(C)(O)C[N@H+](Cc1ccccc1)Cc1cc(F)c([O-])cc1F ZINC001144659417 1095756335 /nfs/dbraw/zinc/75/63/35/1095756335.db2.gz IDHKBLNSZRDKOS-UHFFFAOYSA-N -1 2 321.367 3.444 20 0 DGADLM C[N@@H+]1CCN(Cc2cc(O)c(F)c(F)c2)[C@H](c2ccccc2)C1 ZINC001232967916 1098187299 /nfs/dbraw/zinc/18/72/99/1098187299.db2.gz BCJUPEDHOPZDDB-INIZCTEOSA-N -1 2 318.367 3.159 20 0 DGADLM CCc1ccc(C)[nH+]c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236228 1098292095 /nfs/dbraw/zinc/29/20/95/1098292095.db2.gz IUCHPANMSPSOEF-UHFFFAOYSA-N -1 2 300.314 3.092 20 0 DGADLM COc1ccc(C2=NN(c3cc(C(=O)[O-])ccc3C)C(=O)C2)cc1 ZINC001245919923 1104309116 /nfs/dbraw/zinc/30/91/16/1104309116.db2.gz MRPSFWMCEAJTRT-UHFFFAOYSA-N -1 2 324.336 3.260 20 0 DGADLM O=c1cc(C[N@H+]2CCc3cc(Cl)ccc3C2)nc(C2CC2)[nH]1 ZINC000459420377 243364244 /nfs/dbraw/zinc/36/42/44/243364244.db2.gz BETAHAHZNOCEAN-UHFFFAOYSA-N -1 2 315.804 3.271 20 0 DGADLM Cc1[nH]ncc1C1CCN(C(=O)c2cc(O)ccc2Cl)CC1 ZINC000368665737 271190525 /nfs/dbraw/zinc/19/05/25/271190525.db2.gz IDGUFULMHVVLEC-UHFFFAOYSA-N -1 2 319.792 3.097 20 0 DGADLM Oc1cc(F)cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000368700851 271196075 /nfs/dbraw/zinc/19/60/75/271196075.db2.gz WQLQRSNKNMTTAZ-WMLDXEAASA-N -1 2 323.314 3.117 20 0 DGADLM Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)n1 ZINC000192788549 432415359 /nfs/dbraw/zinc/41/53/59/432415359.db2.gz XZUILWMGQOADRE-NEPJUHHUSA-N -1 2 319.355 3.319 20 0 DGADLM Cc1[nH]c2ccc(NS(=O)(=O)c3cccc(F)c3C)cc2[nH+]1 ZINC000340148002 433942462 /nfs/dbraw/zinc/94/24/62/433942462.db2.gz YULYOFQNFTYUPN-UHFFFAOYSA-N -1 2 319.361 3.120 20 0 DGADLM O=C(NC1(c2cccc(Cl)c2)CC1)c1cccc2[nH]nnc21 ZINC000180058339 323220740 /nfs/dbraw/zinc/22/07/40/323220740.db2.gz ZTFAYFZYLDPZNL-UHFFFAOYSA-N -1 2 312.760 3.030 20 0 DGADLM Cc1cc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)cs1 ZINC000672850243 547922171 /nfs/dbraw/zinc/92/21/71/547922171.db2.gz UDQUXHHUCHGGDZ-UHFFFAOYSA-N -1 2 302.334 3.233 20 0 DGADLM O=C(Nc1cc(Cl)cc(Cl)c1O)c1cnc2[nH]cnc2c1 ZINC000680618867 549075867 /nfs/dbraw/zinc/07/58/67/549075867.db2.gz ZWVSVROMBKXJOX-UHFFFAOYSA-N -1 2 323.139 3.223 20 0 DGADLM CC(C)[C@@H]([NH2+]Cc1ccc(O)c(F)c1)c1nc(C2CC2)no1 ZINC000893345491 618524094 /nfs/dbraw/zinc/52/40/94/618524094.db2.gz LMSQSQKGVPWWHX-CQSZACIVSA-N -1 2 305.353 3.279 20 0 DGADLM Oc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]2c2ccncc2)o1 ZINC000878310693 624242397 /nfs/dbraw/zinc/24/23/97/624242397.db2.gz OVMINXKVCQHGHC-HNNXBMFYSA-N -1 2 322.368 3.174 20 0 DGADLM C[C@@H](CC(=O)[O-])CC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000232388872 659427258 /nfs/dbraw/zinc/42/72/58/659427258.db2.gz BGLVKIHKFGOYAQ-ZCFIWIBFSA-N -1 2 306.145 3.138 20 0 DGADLM C[C@H](CC(=O)[O-])CC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000232388873 659427523 /nfs/dbraw/zinc/42/75/23/659427523.db2.gz BGLVKIHKFGOYAQ-LURJTMIESA-N -1 2 306.145 3.138 20 0 DGADLM C[C@H]1CC[N@H+](Cc2cc(F)c(O)c(Cl)c2)CC[C@]1(C)O ZINC001237984042 1090333162 /nfs/dbraw/zinc/33/31/62/1090333162.db2.gz LDHULXYVUZQTGJ-BONVTDFDSA-N -1 2 301.789 3.168 20 0 DGADLM C[N@H+]1CCN(Cc2c(F)cc(O)cc2F)[C@H](c2ccccc2)C1 ZINC001144542009 1095706677 /nfs/dbraw/zinc/70/66/77/1095706677.db2.gz OVLPLEHZGOOOEM-SFHVURJKSA-N -1 2 318.367 3.159 20 0 DGADLM COc1cccc([C@@H](C)Oc2ccc(O[P@@](=O)([O-])O)cc2)c1 ZINC001234331854 1098538243 /nfs/dbraw/zinc/53/82/43/1098538243.db2.gz KKYHECWHUGRQQB-LLVKDONJSA-N -1 2 324.269 3.307 20 0 DGADLM COc1cccc([C@@H](C)Oc2ccc(O[P@](=O)([O-])O)cc2)c1 ZINC001234331854 1098538246 /nfs/dbraw/zinc/53/82/46/1098538246.db2.gz KKYHECWHUGRQQB-LLVKDONJSA-N -1 2 324.269 3.307 20 0 DGADLM O=[P@@]([O-])(O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC001240822692 1101149074 /nfs/dbraw/zinc/14/90/74/1101149074.db2.gz MMQNDIBUAUGKPV-UHFFFAOYSA-N -1 2 302.188 3.175 20 0 DGADLM O=[P@]([O-])(O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC001240822692 1101149076 /nfs/dbraw/zinc/14/90/76/1101149076.db2.gz MMQNDIBUAUGKPV-UHFFFAOYSA-N -1 2 302.188 3.175 20 0 DGADLM Cc1ccsc1S(=O)(=O)[N-]c1cc(O)c(Cl)cc1F ZINC001260068284 1107246711 /nfs/dbraw/zinc/24/67/11/1107246711.db2.gz QMZAVAOYCWUMLQ-UHFFFAOYSA-N -1 2 321.782 3.355 20 0 DGADLM OC[C@H]1c2ccccc2CC[N@H+]1Cc1cc(O)ccc1Cl ZINC000625263085 401076472 /nfs/dbraw/zinc/07/64/72/401076472.db2.gz XIIOCVRGUULFCA-KRWDZBQOSA-N -1 2 303.789 3.137 20 0 DGADLM CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625149299 401042656 /nfs/dbraw/zinc/04/26/56/401042656.db2.gz IGPQSYMISIHSFB-ZDUSSCGKSA-N -1 2 324.852 3.172 20 0 DGADLM CC[C@@H]1C[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000356051875 266268099 /nfs/dbraw/zinc/26/80/99/266268099.db2.gz HWFJGMKCLKZWQL-IINYFYTJSA-N -1 2 303.324 3.410 20 0 DGADLM Oc1cc(F)cc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000368700850 271196047 /nfs/dbraw/zinc/19/60/47/271196047.db2.gz WQLQRSNKNMTTAZ-RHSMWYFYSA-N -1 2 323.314 3.117 20 0 DGADLM CN(CC[N@H+](C)Cc1c(F)ccc(O)c1F)c1ccccc1 ZINC000351502597 433533792 /nfs/dbraw/zinc/53/37/92/433533792.db2.gz MWAIGNRVYMUBLN-UHFFFAOYSA-N -1 2 306.356 3.239 20 0 DGADLM Cc1ccc2nc([C@H]3CCC[N@@H+]3Cc3ncccc3O)[nH]c2c1 ZINC000569116084 435506750 /nfs/dbraw/zinc/50/67/50/435506750.db2.gz FTURKEYPGHKQJD-MRXNPFEDSA-N -1 2 308.385 3.309 20 0 DGADLM Cc1ccc2nc([C@H]3CCC[N@H+]3Cc3ncccc3O)[nH]c2c1 ZINC000569116084 435506752 /nfs/dbraw/zinc/50/67/52/435506752.db2.gz FTURKEYPGHKQJD-MRXNPFEDSA-N -1 2 308.385 3.309 20 0 DGADLM O=c1cc(C[NH+]2CC3(C2)CC(F)(F)C3)nc(-c2ccccc2)[nH]1 ZINC000656482779 435958141 /nfs/dbraw/zinc/95/81/41/435958141.db2.gz FJFHQKJKQICYRF-UHFFFAOYSA-N -1 2 317.339 3.080 20 0 DGADLM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 ZINC000232388980 546276786 /nfs/dbraw/zinc/27/67/86/546276786.db2.gz QURMQCXFAGYRHW-NKWVEPMBSA-N -1 2 318.156 3.138 20 0 DGADLM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(F)c(O)c(F)c1 ZINC001597464922 1192733869 /nfs/dbraw/zinc/73/38/69/1192733869.db2.gz MPYURYUFVSKXFJ-UHFFFAOYSA-N -1 2 321.279 3.183 20 0 DGADLM Cc1cc(C(=O)[O-])c(NC(=O)c2cccc(Cl)c2O)s1 ZINC001600104372 1192790338 /nfs/dbraw/zinc/79/03/38/1192790338.db2.gz QTRCVBNNFGTSNB-UHFFFAOYSA-N -1 2 311.746 3.366 20 0 DGADLM Cc1csc(C(=O)[O-])c1NC(=O)c1cccc(Cl)c1O ZINC001600649454 1192888713 /nfs/dbraw/zinc/88/87/13/1192888713.db2.gz MMFUJKSWTLVKBK-UHFFFAOYSA-N -1 2 311.746 3.366 20 0 DGADLM CC(C)(C)OC(=O)C[N@@H+](Cc1ccc(O)c(F)c1)CC1CC1 ZINC001621425939 1193841172 /nfs/dbraw/zinc/84/11/72/1193841172.db2.gz PHVMIBYDVJHKLJ-UHFFFAOYSA-N -1 2 309.381 3.085 20 0 DGADLM O=[P@@]([O-])(O)c1ccc(N[C@H](c2ccccc2)C2CC2)cc1 ZINC001161961258 1089493936 /nfs/dbraw/zinc/49/39/36/1089493936.db2.gz NJFBCRUBAPRYCY-MRXNPFEDSA-N -1 2 303.298 3.053 20 0 DGADLM O=[P@]([O-])(O)c1ccc(N[C@H](c2ccccc2)C2CC2)cc1 ZINC001161961258 1089493945 /nfs/dbraw/zinc/49/39/45/1089493945.db2.gz NJFBCRUBAPRYCY-MRXNPFEDSA-N -1 2 303.298 3.053 20 0 DGADLM C[N@H+](Cc1ccncc1O)Cc1ccccc1Br ZINC001140273063 1091813311 /nfs/dbraw/zinc/81/33/11/1091813311.db2.gz ALEGDMBXTKWPIB-UHFFFAOYSA-N -1 2 307.191 3.182 20 0 DGADLM Oc1cc(F)c(C[N@H+]2CCC[C@@H](Oc3cccnc3)C2)cc1F ZINC001144666503 1095756947 /nfs/dbraw/zinc/75/69/47/1095756947.db2.gz LMPSPXHDYQBVMG-CQSZACIVSA-N -1 2 320.339 3.109 20 0 DGADLM C[C@@H](COc1ccccc1)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234333485 1098538574 /nfs/dbraw/zinc/53/85/74/1098538574.db2.gz WNKSHRWOALMSIA-LBPRGKRZSA-N -1 2 324.269 3.004 20 0 DGADLM C[C@@H](COc1ccccc1)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234333485 1098538575 /nfs/dbraw/zinc/53/85/75/1098538575.db2.gz WNKSHRWOALMSIA-LBPRGKRZSA-N -1 2 324.269 3.004 20 0 DGADLM O=C([O-])CCC(=O)Nc1ccc(-c2ccccc2S)cc1 ZINC001244032315 1103152763 /nfs/dbraw/zinc/15/27/63/1103152763.db2.gz QUKQCDNSMFEANL-UHFFFAOYSA-N -1 2 301.367 3.446 20 0 DGADLM O=S(=O)(Nc1cc(Cl)ccc1[S-])c1cccs1 ZINC001250916784 1105604397 /nfs/dbraw/zinc/60/43/97/1105604397.db2.gz ZQBSPPMUSNAFGV-UHFFFAOYSA-N -1 2 305.833 3.491 20 0 DGADLM COc1cc(NS(=O)(=O)c2sccc2C)ccc1[S-] ZINC001260068858 1107246451 /nfs/dbraw/zinc/24/64/51/1107246451.db2.gz VOAUZAFMFNDUBB-UHFFFAOYSA-N -1 2 315.441 3.155 20 0 DGADLM O=S(=O)(Nc1ccccc1[S-])c1c(F)cc(F)cc1F ZINC001260353241 1107272242 /nfs/dbraw/zinc/27/22/42/1107272242.db2.gz OTUZWWMAMSKUFG-UHFFFAOYSA-N -1 2 319.329 3.193 20 0 DGADLM Cc1cccc2c(=O)c(C(=O)N3C[C@H](C)S[C@@H](C)C3)c[nH]c12 ZINC000164179817 432046151 /nfs/dbraw/zinc/04/61/51/432046151.db2.gz FKXKNGWYNYGWLQ-RYUDHWBXSA-N -1 2 316.426 3.215 20 0 DGADLM CC[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)Cc1c(F)cccc1F ZINC000459324350 243334971 /nfs/dbraw/zinc/33/49/71/243334971.db2.gz KHZYHKRTZNQMQZ-UHFFFAOYSA-N -1 2 319.355 3.360 20 0 DGADLM Oc1ccc(N2CC[NH+](Cc3cc(O)ccc3Cl)CC2)cc1 ZINC000625050511 401017551 /nfs/dbraw/zinc/01/75/51/401017551.db2.gz SHZKYXWWJTZKIC-UHFFFAOYSA-N -1 2 318.804 3.073 20 0 DGADLM CC[C@H]1C[N@H+](Cc2cc(O)ccc2Cl)[C@@H](CC)CN1C(C)=O ZINC000625204260 401058973 /nfs/dbraw/zinc/05/89/73/401058973.db2.gz NJYJPFGHZBXLDO-GJZGRUSLSA-N -1 2 324.852 3.267 20 0 DGADLM CCc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2cc(C)no2)o1 ZINC000265473621 432702434 /nfs/dbraw/zinc/70/24/34/432702434.db2.gz QDFQCJHZGOGLCE-OCCSQVGLSA-N -1 2 317.389 3.303 20 0 DGADLM CC(C)O[C@@H]1C[C@H]([NH2+]Cc2nc(=O)c3sccc3[nH]2)C1(C)C ZINC000298032881 433043174 /nfs/dbraw/zinc/04/31/74/433043174.db2.gz CKVCNEFQWRGRDM-NWDGAFQWSA-N -1 2 321.446 3.079 20 0 DGADLM Cc1noc(C)c1C[NH2+]Cc1cccc(O)c1Br ZINC000315757676 434171776 /nfs/dbraw/zinc/17/17/76/434171776.db2.gz SPQRBODPEKJLEQ-UHFFFAOYSA-N -1 2 311.179 3.049 20 0 DGADLM CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450896791 434470285 /nfs/dbraw/zinc/47/02/85/434470285.db2.gz OQOUBNZRUXRSCK-HZMBPMFUSA-N -1 2 323.343 3.384 20 0 DGADLM C[C@H](CN=c1nc(-c2ccccc2)[nH]s1)[N@@H+]1CCC[C@@H](C)C1 ZINC000462779104 434927715 /nfs/dbraw/zinc/92/77/15/434927715.db2.gz QGVFVJPVECXMLD-ZIAGYGMSSA-N -1 2 316.474 3.159 20 0 DGADLM CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cc(F)cc(F)c1O ZINC000910987278 620320859 /nfs/dbraw/zinc/32/08/59/620320859.db2.gz SEOSKVCVTNHAIA-SECBINFHSA-N -1 2 309.316 3.019 20 0 DGADLM CC[C@]1(C)CC[N@@H+](Cn2[nH]c(-c3ccccn3)nc2=S)C1 ZINC000758390911 621778796 /nfs/dbraw/zinc/77/87/96/621778796.db2.gz DECHCAOUPIBTIB-OAHLLOKOSA-N -1 2 303.435 3.082 20 0 DGADLM Oc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H]2c2ccncc2)o1 ZINC000878310694 624242493 /nfs/dbraw/zinc/24/24/93/624242493.db2.gz OVMINXKVCQHGHC-OAHLLOKOSA-N -1 2 322.368 3.174 20 0 DGADLM Cc1cc(NCCc2c(F)cc(O)cc2F)nc(C2CC2)[nH+]1 ZINC001458643827 1182546102 /nfs/dbraw/zinc/54/61/02/1182546102.db2.gz IIVVARSXZBJHKS-UHFFFAOYSA-N -1 2 305.328 3.301 20 0 DGADLM CCc1ccc(O)c(C(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC001464073565 1183068381 /nfs/dbraw/zinc/06/83/81/1183068381.db2.gz KPNCQHNZEPRRAE-UHFFFAOYSA-N -1 2 307.353 3.393 20 0 DGADLM O=c1[nH]c(C2CC2)nc2c1C[N@H+](CCOC1CCCCCC1)C2 ZINC001654689018 1195829725 /nfs/dbraw/zinc/82/97/25/1195829725.db2.gz LKEIHVRRKLYYML-UHFFFAOYSA-N -1 2 317.433 3.115 20 0 DGADLM O[C@H](CNc1cc([S-])cc(S)c1)COc1ccccc1 ZINC001163815025 1090264944 /nfs/dbraw/zinc/26/49/44/1090264944.db2.gz SSMYRXWBRHZOCT-GFCCVEGCSA-N -1 2 307.440 3.116 20 0 DGADLM O=C1c2ccccc2[C@@H]2C[N@H+](Cc3cc(F)c(O)c(F)c3)C[C@H]12 ZINC001140988195 1092096166 /nfs/dbraw/zinc/09/61/66/1092096166.db2.gz RDSNQHRNNGLDBQ-KBPBESRZSA-N -1 2 315.319 3.082 20 0 DGADLM C[C@@H]1C[C@H](Nc2ccc([P@@](=O)([O-])O)cc2)c2ccccc21 ZINC001169382676 1092657195 /nfs/dbraw/zinc/65/71/95/1092657195.db2.gz XGLZTQHHSHOMGE-BZNIZROVSA-N -1 2 303.298 3.150 20 0 DGADLM C[C@@H]1C[C@H](Nc2ccc([P@](=O)([O-])O)cc2)c2ccccc21 ZINC001169382676 1092657198 /nfs/dbraw/zinc/65/71/98/1092657198.db2.gz XGLZTQHHSHOMGE-BZNIZROVSA-N -1 2 303.298 3.150 20 0 DGADLM COc1cccc(CC[N@H+](C)Cc2c(F)cc(O)cc2F)c1 ZINC001144554852 1095710511 /nfs/dbraw/zinc/71/05/11/1095710511.db2.gz JTCSKCZXHYMULP-UHFFFAOYSA-N -1 2 307.340 3.354 20 0 DGADLM C[N@@H+]1CCN(Cc2cc(F)c([O-])cc2F)[C@@H](c2ccccc2)C1 ZINC001144647101 1095747114 /nfs/dbraw/zinc/74/71/14/1095747114.db2.gz YONUYUWDGKBZLO-QGZVFWFLSA-N -1 2 318.367 3.159 20 0 DGADLM Oc1cc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc(F)c1F ZINC001232973533 1098189783 /nfs/dbraw/zinc/18/97/83/1098189783.db2.gz DLVIWBDPEHRISN-CQSZACIVSA-N -1 2 323.314 3.463 20 0 DGADLM C[C@@H](Cc1ccccc1)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234332814 1098538040 /nfs/dbraw/zinc/53/80/40/1098538040.db2.gz SEMOSNMQJLKDOD-LBPRGKRZSA-N -1 2 308.270 3.168 20 0 DGADLM C[C@@H](Cc1ccccc1)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234332814 1098538045 /nfs/dbraw/zinc/53/80/45/1098538045.db2.gz SEMOSNMQJLKDOD-LBPRGKRZSA-N -1 2 308.270 3.168 20 0 DGADLM C[C@@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)c1ccc(F)cc1 ZINC001234339161 1098539547 /nfs/dbraw/zinc/53/95/47/1098539547.db2.gz PACUOXPVDZYXCL-SNVBAGLBSA-N -1 2 312.233 3.437 20 0 DGADLM C[C@@H](Oc1ccc(O[P@](=O)([O-])O)cc1)c1ccc(F)cc1 ZINC001234339161 1098539553 /nfs/dbraw/zinc/53/95/53/1098539553.db2.gz PACUOXPVDZYXCL-SNVBAGLBSA-N -1 2 312.233 3.437 20 0 DGADLM Cc1cc(OC(C)C)ccc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001243282963 1102632720 /nfs/dbraw/zinc/63/27/20/1102632720.db2.gz XORWWXLIIIMAPO-UHFFFAOYSA-N -1 2 306.298 3.252 20 0 DGADLM Cc1cc(OC(C)C)ccc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001243282963 1102632723 /nfs/dbraw/zinc/63/27/23/1102632723.db2.gz XORWWXLIIIMAPO-UHFFFAOYSA-N -1 2 306.298 3.252 20 0 DGADLM Cc1nc(Cl)sc1S(=O)(=O)Nc1ccc([S-])cc1 ZINC001201760195 1102720242 /nfs/dbraw/zinc/72/02/42/1102720242.db2.gz FBIPHLGKPPKKBV-UHFFFAOYSA-N -1 2 320.848 3.194 20 0 DGADLM O=C([O-])CCC(=O)Nc1ccc(-c2cccc(S)c2)cc1 ZINC001244032453 1103153880 /nfs/dbraw/zinc/15/38/80/1103153880.db2.gz UWKCPKPNQNSLMZ-UHFFFAOYSA-N -1 2 301.367 3.446 20 0 DGADLM CSc1ccccc1[N-]C(=S)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001249695823 1105357287 /nfs/dbraw/zinc/35/72/87/1105357287.db2.gz QWSOSCOUZCUOJT-CYBMUJFWSA-N -1 2 321.515 3.275 20 0 DGADLM Cc1c(Cl)cc([N-]S(=O)(=O)C(F)(F)F)c(O)c1Cl ZINC001252355821 1105771028 /nfs/dbraw/zinc/77/10/28/1105771028.db2.gz YOVFLUXCPDNOCO-UHFFFAOYSA-N -1 2 324.107 3.269 20 0 DGADLM Cc1ccnc(C2CC[NH+](Cc3ccc(O)c(F)c3F)CC2)n1 ZINC001308968480 1111501809 /nfs/dbraw/zinc/50/18/09/1111501809.db2.gz HVLXFTFJNVRWAV-UHFFFAOYSA-N -1 2 319.355 3.148 20 0 DGADLM CCOc1cc(C[N@@H+]2C[C@H](C)OC[C@H]2CC)cc(Cl)c1O ZINC000459286898 243318412 /nfs/dbraw/zinc/31/84/12/243318412.db2.gz IEUUGFZTBOQFIC-WCQYABFASA-N -1 2 313.825 3.444 20 0 DGADLM Oc1ccc(F)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1F ZINC000294416489 224019101 /nfs/dbraw/zinc/01/91/01/224019101.db2.gz WPJWQQYSOGBNBJ-NHYWBVRUSA-N -1 2 323.339 3.352 20 0 DGADLM COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1c(F)ccc(O)c1F ZINC000353158141 265321915 /nfs/dbraw/zinc/32/19/15/265321915.db2.gz XWEMAZQQBRGMND-AWEZNQCLSA-N -1 2 321.367 3.360 20 0 DGADLM CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)n1 ZINC000176819170 432555189 /nfs/dbraw/zinc/55/51/89/432555189.db2.gz XGYRCCDOHOQTAW-HNNXBMFYSA-N -1 2 301.365 3.221 20 0 DGADLM Cc1cc(=O)[nH]c([C@H](C)[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1 ZINC000177919548 432672449 /nfs/dbraw/zinc/67/24/49/432672449.db2.gz CYTSUUKKNZZBTA-DZKIICNBSA-N -1 2 313.401 3.014 20 0 DGADLM Cc1cccc2c(=O)c(C(=O)N3CCC[C@H]3CC(C)C)c[nH]c12 ZINC000361482248 433196365 /nfs/dbraw/zinc/19/63/65/433196365.db2.gz WEMRJZJVLYGOOG-AWEZNQCLSA-N -1 2 312.413 3.487 20 0 DGADLM O=C(CCCC(F)(F)F)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000356861764 433734867 /nfs/dbraw/zinc/73/48/67/433734867.db2.gz IGPHBUBVIXICSI-UHFFFAOYSA-N -1 2 316.258 3.282 20 0 DGADLM CC[C@@H](Sc1ccc(=N[C@@H](C)c2ccccc2)[nH]n1)C(=O)[O-] ZINC000581313976 324103998 /nfs/dbraw/zinc/10/39/98/324103998.db2.gz YBNCPYRPOYMVSO-WCQYABFASA-N -1 2 317.414 3.027 20 0 DGADLM Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(Cl)cc1O ZINC000007343712 545648485 /nfs/dbraw/zinc/64/84/85/545648485.db2.gz VCKRNFMHLTYHLI-UHFFFAOYSA-N -1 2 315.760 3.342 20 0 DGADLM Oc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)o1 ZINC000878213665 624217961 /nfs/dbraw/zinc/21/79/61/624217961.db2.gz MJQJBOXXZPGBFR-CQSZACIVSA-N -1 2 310.357 3.107 20 0 DGADLM Cc1cc(N[C@H](C)c2cccc(-c3nn[nH]n3)c2)nc(C2CC2)[nH+]1 ZINC000822209647 628429607 /nfs/dbraw/zinc/42/96/07/628429607.db2.gz QPRWGGAJQSRQDQ-LLVKDONJSA-N -1 2 321.388 3.016 20 0 DGADLM CC(C)(C)[C@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000824077331 628625776 /nfs/dbraw/zinc/62/57/76/628625776.db2.gz ASXRCSGLEHHQFS-LBPRGKRZSA-N -1 2 322.416 3.287 20 0 DGADLM COc1cnc([C@@H]2CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)[nH]c1=O ZINC000934270121 661692473 /nfs/dbraw/zinc/69/24/73/661692473.db2.gz NUZRDPZJGHJFAF-HNNXBMFYSA-N -1 2 324.384 3.009 20 0 DGADLM CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(O)c(F)c1F ZINC001658368120 1196247903 /nfs/dbraw/zinc/24/79/03/1196247903.db2.gz GXCOWMXMOGUSTB-HNNXBMFYSA-N -1 2 321.367 3.444 20 0 DGADLM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc(F)cc(F)c2O)cc1 ZINC001589520794 987163061 /nfs/dbraw/zinc/16/30/61/987163061.db2.gz CWGSLAIYBQLFCR-MRVPVSSYSA-N -1 2 321.279 3.111 20 0 DGADLM O=C(CNc1cc([S-])cc(S)c1)N1CCc2ccccc21 ZINC001164598324 1090445446 /nfs/dbraw/zinc/44/54/46/1090445446.db2.gz ZWVIXHSWXSDIGV-UHFFFAOYSA-N -1 2 316.451 3.265 20 0 DGADLM Oc1cc(F)c(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)cc1F ZINC001144647678 1095747583 /nfs/dbraw/zinc/74/75/83/1095747583.db2.gz LFFVOLRXEUMOFP-RKDXNWHRSA-N -1 2 313.241 3.250 20 0 DGADLM Oc1cc(F)c(C[N@H+]2CCC[C@H](Oc3cccnc3)C2)cc1F ZINC001144666502 1095756829 /nfs/dbraw/zinc/75/68/29/1095756829.db2.gz LMPSPXHDYQBVMG-AWEZNQCLSA-N -1 2 320.339 3.109 20 0 DGADLM OCC1(Nc2cc([S-])cc(S)c2)Cc2ccccc2C1 ZINC001171211644 1095775631 /nfs/dbraw/zinc/77/56/31/1095775631.db2.gz OPDKMPZLYOJYHA-UHFFFAOYSA-N -1 2 303.452 3.206 20 0 DGADLM COc1ccc(C[N@@H+](C)Cc2cc(O)c(F)c(F)c2)c(OC)c1 ZINC001232973145 1098189508 /nfs/dbraw/zinc/18/95/08/1098189508.db2.gz OMZLFBZMFCYWTJ-UHFFFAOYSA-N -1 2 323.339 3.320 20 0 DGADLM CCCC(=O)[C@H](CCC)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234333157 1098537672 /nfs/dbraw/zinc/53/76/72/1098537672.db2.gz TXEUCLDBUBSOFA-AWEZNQCLSA-N -1 2 316.290 3.075 20 0 DGADLM CCCC(=O)[C@H](CCC)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234333157 1098537673 /nfs/dbraw/zinc/53/76/73/1098537673.db2.gz TXEUCLDBUBSOFA-AWEZNQCLSA-N -1 2 316.290 3.075 20 0 DGADLM C[C@@H]1CC[C@@H](C)[C@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)C1 ZINC001234333861 1098538844 /nfs/dbraw/zinc/53/88/44/1098538844.db2.gz ZZSOPNNPEWRATM-JTNHKYCSSA-N -1 2 300.291 3.362 20 0 DGADLM C[C@@H]1CC[C@@H](C)[C@H](Oc2ccc(O[P@](=O)([O-])O)cc2)C1 ZINC001234333861 1098538847 /nfs/dbraw/zinc/53/88/47/1098538847.db2.gz ZZSOPNNPEWRATM-JTNHKYCSSA-N -1 2 300.291 3.362 20 0 DGADLM CCOc1ccc(C)c(F)c1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001236538107 1099671199 /nfs/dbraw/zinc/67/11/99/1099671199.db2.gz DHKUJGCYMSWMHB-UHFFFAOYSA-N -1 2 310.261 3.003 20 0 DGADLM CCOc1ccc(C)c(F)c1-c1ccc([P@](=O)([O-])O)cc1 ZINC001236538107 1099671203 /nfs/dbraw/zinc/67/12/03/1099671203.db2.gz DHKUJGCYMSWMHB-UHFFFAOYSA-N -1 2 310.261 3.003 20 0 DGADLM C[N@H+](Cc1cncs1)Cc1ccc(Br)c(O)c1 ZINC001236696800 1099746989 /nfs/dbraw/zinc/74/69/89/1099746989.db2.gz XKWFAPHCOJLWGM-UHFFFAOYSA-N -1 2 313.220 3.243 20 0 DGADLM O=[P@@]([O-])(O)c1ccc(-c2ccc(C(F)(F)F)cc2F)cc1 ZINC001240398699 1100976239 /nfs/dbraw/zinc/97/62/39/1100976239.db2.gz RIDWVACHBMMCSZ-UHFFFAOYSA-N -1 2 320.178 3.315 20 0 DGADLM O=[P@]([O-])(O)c1ccc(-c2ccc(C(F)(F)F)cc2F)cc1 ZINC001240398699 1100976243 /nfs/dbraw/zinc/97/62/43/1100976243.db2.gz RIDWVACHBMMCSZ-UHFFFAOYSA-N -1 2 320.178 3.315 20 0 DGADLM Cc1cc(-c2ccc([P@@](=O)([O-])O)cc2)ccc1OC(C)C ZINC001241222787 1101301895 /nfs/dbraw/zinc/30/18/95/1101301895.db2.gz NLMOJWSLWKORLC-UHFFFAOYSA-N -1 2 306.298 3.252 20 0 DGADLM Cc1cc(-c2ccc([P@](=O)([O-])O)cc2)ccc1OC(C)C ZINC001241222787 1101301904 /nfs/dbraw/zinc/30/19/04/1101301904.db2.gz NLMOJWSLWKORLC-UHFFFAOYSA-N -1 2 306.298 3.252 20 0 DGADLM Cc1cccc(-c2cc(=O)n(Cc3ccc(C(=O)[O-])cc3)[nH]2)c1 ZINC001245917931 1104307805 /nfs/dbraw/zinc/30/78/05/1104307805.db2.gz NBUYKMWVYUZRID-UHFFFAOYSA-N -1 2 308.337 3.311 20 0 DGADLM C[C@H]1C[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)CC(C)(C)O1 ZINC000356056644 266269884 /nfs/dbraw/zinc/26/98/84/266269884.db2.gz MTVUWEKJBSIADM-JTQLQIEISA-N -1 2 303.324 3.410 20 0 DGADLM CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)n1 ZINC000176819149 432555817 /nfs/dbraw/zinc/55/58/17/432555817.db2.gz XGYRCCDOHOQTAW-OAHLLOKOSA-N -1 2 301.365 3.221 20 0 DGADLM CN(C)c1cccc(C[N@@H+](C)Cc2c(F)ccc(O)c2F)c1 ZINC000351716940 433682086 /nfs/dbraw/zinc/68/20/86/433682086.db2.gz BQGLMNUDUSBLSE-UHFFFAOYSA-N -1 2 306.356 3.368 20 0 DGADLM Cc1[nH+]cc(C[N@H+](CC(=O)[O-])CC(C)(C)C)n1-c1ccccc1 ZINC000665350455 435953155 /nfs/dbraw/zinc/95/31/55/435953155.db2.gz SUCWLOTXOUMXCW-UHFFFAOYSA-N -1 2 315.417 3.113 20 0 DGADLM O=C(Nc1nc(-c2ccccc2F)n[nH]1)[C@@H]1CC12CCCC2 ZINC000530627324 313389958 /nfs/dbraw/zinc/38/99/58/313389958.db2.gz KFRICBHNTSQGDN-NSHDSACASA-N -1 2 300.337 3.130 20 0 DGADLM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH]nnc21 ZINC000542821126 314100947 /nfs/dbraw/zinc/10/09/47/314100947.db2.gz SFXCLVTXUVVRQT-CHWSQXEVSA-N -1 2 300.406 3.293 20 0 DGADLM Cc1ccc(O)c(C[N@@H+]2Cc3cccc(Br)c3C2)n1 ZINC000681167806 549171617 /nfs/dbraw/zinc/17/16/17/549171617.db2.gz MZHVZPBZINZJMS-UHFFFAOYSA-N -1 2 319.202 3.374 20 0 DGADLM Cc1ccc(N[C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c(C)[nH+]1 ZINC001592183449 1192600515 /nfs/dbraw/zinc/60/05/15/1192600515.db2.gz DTZFPRJCQPCFHP-KRWDZBQOSA-N -1 2 320.400 3.368 20 0 DGADLM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC001589220248 956766576 /nfs/dbraw/zinc/76/65/76/956766576.db2.gz ZMSJCJDOWSFGBR-ZDUSSCGKSA-N -1 2 318.156 3.138 20 0 DGADLM CC(C)[C@H]1CCC2=NN(c3cccc(C(=O)[O-])c3F)C(=O)[C@H]2C1 ZINC001591082679 991600597 /nfs/dbraw/zinc/60/05/97/991600597.db2.gz WDZXOIQXYCFSQH-JQWIXIFHSA-N -1 2 318.348 3.299 20 0 DGADLM CC(C)[C@@H]1CCC2=NN(c3cccc(C(=O)[O-])c3F)C(=O)[C@H]2C1 ZINC001591082681 991600880 /nfs/dbraw/zinc/60/08/80/991600880.db2.gz WDZXOIQXYCFSQH-PWSUYJOCSA-N -1 2 318.348 3.299 20 0 DGADLM C[C@@H]1C[C@@H](Nc2ccc([P@@](=O)([O-])O)cc2)c2ccccc21 ZINC001169382674 1092657378 /nfs/dbraw/zinc/65/73/78/1092657378.db2.gz XGLZTQHHSHOMGE-BDJLRTHQSA-N -1 2 303.298 3.150 20 0 DGADLM C[C@@H]1C[C@@H](Nc2ccc([P@](=O)([O-])O)cc2)c2ccccc21 ZINC001169382674 1092657382 /nfs/dbraw/zinc/65/73/82/1092657382.db2.gz XGLZTQHHSHOMGE-BDJLRTHQSA-N -1 2 303.298 3.150 20 0 DGADLM O=C(NCCNc1cc([S-])cc(S)c1)Nc1ccccc1 ZINC001169431794 1092694881 /nfs/dbraw/zinc/69/48/81/1092694881.db2.gz CLWCUPOZQRNIMB-UHFFFAOYSA-N -1 2 319.455 3.498 20 0 DGADLM Cc1ccc(N2CCC[C@H](Oc3ccc4c(c3)OCC4=O)C2)[nH+]c1 ZINC001225341028 1096400995 /nfs/dbraw/zinc/40/09/95/1096400995.db2.gz VUGRWPHTDDIYQM-HNNXBMFYSA-N -1 2 324.380 3.013 20 0 DGADLM Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(O)c(F)c(F)c3)C2)nc1 ZINC001232974156 1098190022 /nfs/dbraw/zinc/19/00/22/1098190022.db2.gz QACWALQUPKLXPO-ZDUSSCGKSA-N -1 2 320.339 3.027 20 0 DGADLM C[C@@H]1CCC[C@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)[C@@H]1C ZINC001234331688 1098537878 /nfs/dbraw/zinc/53/78/78/1098537878.db2.gz KAMWFQOPXGMQRT-GYSYKLTISA-N -1 2 300.291 3.362 20 0 DGADLM C[C@@H]1CCC[C@H](Oc2ccc(O[P@](=O)([O-])O)cc2)[C@@H]1C ZINC001234331688 1098537885 /nfs/dbraw/zinc/53/78/85/1098537885.db2.gz KAMWFQOPXGMQRT-GYSYKLTISA-N -1 2 300.291 3.362 20 0 DGADLM O=[P@@]([O-])(O)Oc1ccc(OC2CCC(F)(F)CC2)cc1 ZINC001234339612 1098539935 /nfs/dbraw/zinc/53/99/35/1098539935.db2.gz QTABZGNBYQNNHL-UHFFFAOYSA-N -1 2 308.217 3.115 20 0 DGADLM O=[P@]([O-])(O)Oc1ccc(OC2CCC(F)(F)CC2)cc1 ZINC001234339612 1098539938 /nfs/dbraw/zinc/53/99/38/1098539938.db2.gz QTABZGNBYQNNHL-UHFFFAOYSA-N -1 2 308.217 3.115 20 0 DGADLM CCOc1cc(C)cc(F)c1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001245012392 1103801293 /nfs/dbraw/zinc/80/12/93/1103801293.db2.gz HGOVDZHHUPBLLA-UHFFFAOYSA-N -1 2 310.261 3.003 20 0 DGADLM CCOc1cc(C)cc(F)c1-c1ccc([P@](=O)([O-])O)cc1 ZINC001245012392 1103801310 /nfs/dbraw/zinc/80/13/10/1103801310.db2.gz HGOVDZHHUPBLLA-UHFFFAOYSA-N -1 2 310.261 3.003 20 0 DGADLM CCOc1cc(C)c(C)cc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001245026572 1103809675 /nfs/dbraw/zinc/80/96/75/1103809675.db2.gz NSGKDLQSLLYXMY-UHFFFAOYSA-N -1 2 306.298 3.172 20 0 DGADLM CCOc1cc(C)c(C)cc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001245026572 1103809687 /nfs/dbraw/zinc/80/96/87/1103809687.db2.gz NSGKDLQSLLYXMY-UHFFFAOYSA-N -1 2 306.298 3.172 20 0 DGADLM CCOc1ccc(Cl)cc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001245108126 1103864118 /nfs/dbraw/zinc/86/41/18/1103864118.db2.gz KHNUVAKSWBAFRY-UHFFFAOYSA-N -1 2 312.689 3.209 20 0 DGADLM CCOc1ccc(Cl)cc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001245108126 1103864130 /nfs/dbraw/zinc/86/41/30/1103864130.db2.gz KHNUVAKSWBAFRY-UHFFFAOYSA-N -1 2 312.689 3.209 20 0 DGADLM O=C1CCCCc2ccc(-c3ccc([P@](=O)([O-])O)cc3)cc21 ZINC001245602185 1104145560 /nfs/dbraw/zinc/14/55/60/1104145560.db2.gz XPDLODAKBTVIQX-UHFFFAOYSA-N -1 2 316.293 3.066 20 0 DGADLM O=C1CCCCc2ccc(-c3ccc([P@@](=O)([O-])O)cc3)cc21 ZINC001245602185 1104145566 /nfs/dbraw/zinc/14/55/66/1104145566.db2.gz XPDLODAKBTVIQX-UHFFFAOYSA-N -1 2 316.293 3.066 20 0 DGADLM O=C([O-])c1ccccc1-n1[nH]c(-c2cc(F)cc(F)c2)cc1=O ZINC001245920740 1104310649 /nfs/dbraw/zinc/31/06/49/1104310649.db2.gz IZNMZYPRUXCLHR-UHFFFAOYSA-N -1 2 316.263 3.221 20 0 DGADLM O=S(=O)(Nc1ccco1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260869505 1107326507 /nfs/dbraw/zinc/32/65/07/1107326507.db2.gz UZFQMIGXSCHZLX-UHFFFAOYSA-N -1 2 308.142 3.093 20 0 DGADLM Oc1cc(F)cc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000433750008 238165831 /nfs/dbraw/zinc/16/58/31/238165831.db2.gz RLKHCYNZWQMOGR-HNNXBMFYSA-N -1 2 315.392 3.054 20 0 DGADLM O=C(Cc1cncc(O)c1)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000553406560 434890229 /nfs/dbraw/zinc/89/02/29/434890229.db2.gz DRPLBGHPLXFODY-UHFFFAOYSA-N -1 2 322.368 3.112 20 0 DGADLM O=C1NCc2ccccc2[C@H]1Nc1cc([S-])cc(S)c1 ZINC001169884729 1081666503 /nfs/dbraw/zinc/66/65/03/1081666503.db2.gz AXGPZTKEMCVGSZ-CQSZACIVSA-N -1 2 302.424 3.047 20 0 DGADLM C[C@@H]1CC[N@H+](Cc2cc(F)c(O)c(Cl)c2)CC[C@@]1(C)O ZINC001237984048 1090332385 /nfs/dbraw/zinc/33/23/85/1090332385.db2.gz LDHULXYVUZQTGJ-MEBBXXQBSA-N -1 2 301.789 3.168 20 0 DGADLM CC(C)(CC(=O)N1CCCC1)Nc1cc([S-])cc(S)c1 ZINC001171492086 1096897783 /nfs/dbraw/zinc/89/77/83/1096897783.db2.gz ONVIGUZTKQILPI-UHFFFAOYSA-N -1 2 310.488 3.467 20 0 DGADLM CCCOc1ccc(F)cc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001243402930 1102704512 /nfs/dbraw/zinc/70/45/12/1102704512.db2.gz LZDSKCUMMLVLKL-UHFFFAOYSA-N -1 2 310.261 3.085 20 0 DGADLM CCCOc1ccc(F)cc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001243402930 1102704521 /nfs/dbraw/zinc/70/45/21/1102704521.db2.gz LZDSKCUMMLVLKL-UHFFFAOYSA-N -1 2 310.261 3.085 20 0 DGADLM O=C([O-])c1ccc(CN2N=C(c3cccc(F)c3)CC2=O)cc1 ZINC001245921016 1104310906 /nfs/dbraw/zinc/31/09/06/1104310906.db2.gz NGEJJWUDCISICA-UHFFFAOYSA-N -1 2 312.300 3.141 20 0 DGADLM O=C([O-])c1ccc(Cn2[nH]c(-c3cccc(F)c3)cc2=O)cc1 ZINC001245921016 1104310919 /nfs/dbraw/zinc/31/09/19/1104310919.db2.gz NGEJJWUDCISICA-UHFFFAOYSA-N -1 2 312.300 3.141 20 0 DGADLM C[C@H]1CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000173988050 198277621 /nfs/dbraw/zinc/27/76/21/198277621.db2.gz FFXDHCHTJUQYHA-JTQLQIEISA-N -1 2 315.398 3.229 20 0 DGADLM C[C@@H]1CSCC[N@@H+]1Cc1cc(O)ccc1Br ZINC000179664843 432066299 /nfs/dbraw/zinc/06/62/99/432066299.db2.gz FLWXFASHKYZXES-SECBINFHSA-N -1 2 302.237 3.092 20 0 DGADLM COCCC1(C)C[NH+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000297526063 227259067 /nfs/dbraw/zinc/25/90/67/227259067.db2.gz YVZJGYDLOGJEME-UHFFFAOYSA-N -1 2 303.324 3.269 20 0 DGADLM CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356105305 266284704 /nfs/dbraw/zinc/28/47/04/266284704.db2.gz CIGXGJXOKMXICA-JTQLQIEISA-N -1 2 319.323 3.183 20 0 DGADLM Oc1cc(F)cc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000186240642 432572869 /nfs/dbraw/zinc/57/28/69/432572869.db2.gz ZWPVVDUXLATMEP-IBGZPJMESA-N -1 2 313.372 3.205 20 0 DGADLM CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450896792 434470521 /nfs/dbraw/zinc/47/05/21/434470521.db2.gz OQOUBNZRUXRSCK-IINYFYTJSA-N -1 2 323.343 3.384 20 0 DGADLM C[C@@H](CNc1nc(-c2ccccc2)ns1)[N@@H+]1CCCC[C@@H]1C ZINC000462930733 434936709 /nfs/dbraw/zinc/93/67/09/434936709.db2.gz UAWLPIMNEZRFAY-KBPBESRZSA-N -1 2 316.474 3.302 20 0 DGADLM C[C@@H](CN=c1nc(-c2ccccc2)[nH]s1)[N@@H+]1CCC[C@H](C)C1 ZINC000462779092 434927156 /nfs/dbraw/zinc/92/71/56/434927156.db2.gz QGVFVJPVECXMLD-KBPBESRZSA-N -1 2 316.474 3.159 20 0 DGADLM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000663039391 436408690 /nfs/dbraw/zinc/40/86/90/436408690.db2.gz JZALKIVOJHYDSB-VIFPVBQESA-N -1 2 320.172 3.384 20 0 DGADLM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cccc2[nH]nnc21 ZINC000542821093 314100682 /nfs/dbraw/zinc/10/06/82/314100682.db2.gz WYHJMGNGGPESTG-AWEZNQCLSA-N -1 2 324.384 3.303 20 0 DGADLM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cccc2[nH]nnc21 ZINC000542821473 314101324 /nfs/dbraw/zinc/10/13/24/314101324.db2.gz YHYONLGBGXHRKP-CYBMUJFWSA-N -1 2 322.412 3.444 20 0 DGADLM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1cccc2[nH]nnc21 ZINC000542821128 314101341 /nfs/dbraw/zinc/10/13/41/314101341.db2.gz SFXCLVTXUVVRQT-QWHCGFSZSA-N -1 2 300.406 3.293 20 0 DGADLM CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cc(F)cc(F)c1O ZINC000910987279 620321090 /nfs/dbraw/zinc/32/10/90/620321090.db2.gz SEOSKVCVTNHAIA-VIFPVBQESA-N -1 2 309.316 3.019 20 0 DGADLM COc1cnc([C@@H]2CCC[N@H+]2Cc2cc(C)ccc2C)[nH]c1=O ZINC000934279681 661693392 /nfs/dbraw/zinc/69/33/92/661693392.db2.gz OIDQJHYGFITVDU-HNNXBMFYSA-N -1 2 313.401 3.145 20 0 DGADLM O=C([O-])c1cccc(-c2noc(-c3cccc(Cl)c3O)n2)c1 ZINC001602430486 1192979082 /nfs/dbraw/zinc/97/90/82/1192979082.db2.gz JRXVAMYBYQVMOW-UHFFFAOYSA-N -1 2 316.700 3.461 20 0 DGADLM CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(O)c(F)c1F ZINC001658368121 1196248201 /nfs/dbraw/zinc/24/82/01/1196248201.db2.gz GXCOWMXMOGUSTB-OAHLLOKOSA-N -1 2 321.367 3.444 20 0 DGADLM C[C@H]1C[C@H](Nc2ccc([P@@](=O)([O-])O)cc2)c2ccccc21 ZINC001169382680 1092657458 /nfs/dbraw/zinc/65/74/58/1092657458.db2.gz XGLZTQHHSHOMGE-ZBEGNZNMSA-N -1 2 303.298 3.150 20 0 DGADLM C[C@H]1C[C@H](Nc2ccc([P@](=O)([O-])O)cc2)c2ccccc21 ZINC001169382680 1092657463 /nfs/dbraw/zinc/65/74/63/1092657463.db2.gz XGLZTQHHSHOMGE-ZBEGNZNMSA-N -1 2 303.298 3.150 20 0 DGADLM CCCOc1ccc(C)c(-c2ccc([P@@](=O)([O-])O)cc2)c1 ZINC001222183983 1095482881 /nfs/dbraw/zinc/48/28/81/1095482881.db2.gz XSVWAZWATYTVJL-UHFFFAOYSA-N -1 2 306.298 3.254 20 0 DGADLM CCCOc1ccc(C)c(-c2ccc([P@](=O)([O-])O)cc2)c1 ZINC001222183983 1095482885 /nfs/dbraw/zinc/48/28/85/1095482885.db2.gz XSVWAZWATYTVJL-UHFFFAOYSA-N -1 2 306.298 3.254 20 0 DGADLM COC(=O)c1cccc(C[N@H+](C)Cc2cc(F)c(O)cc2F)c1 ZINC001144659496 1095756863 /nfs/dbraw/zinc/75/68/63/1095756863.db2.gz KTNZPDHGBHGWII-UHFFFAOYSA-N -1 2 321.323 3.089 20 0 DGADLM Oc1cc(F)c(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)cc1F ZINC001144667684 1095758372 /nfs/dbraw/zinc/75/83/72/1095758372.db2.gz XWBOMIWJJLZURY-OAHLLOKOSA-N -1 2 319.351 3.462 20 0 DGADLM O=[P@@]([O-])(O)Oc1ccc(O[C@@H](c2cccnc2)C2CC2)cc1 ZINC001234330992 1098537827 /nfs/dbraw/zinc/53/78/27/1098537827.db2.gz AIZVCKDUGWWLIR-OAHLLOKOSA-N -1 2 321.269 3.083 20 0 DGADLM O=[P@]([O-])(O)Oc1ccc(O[C@@H](c2cccnc2)C2CC2)cc1 ZINC001234330992 1098537829 /nfs/dbraw/zinc/53/78/29/1098537829.db2.gz AIZVCKDUGWWLIR-OAHLLOKOSA-N -1 2 321.269 3.083 20 0 DGADLM O=[P@@]([O-])(O)Oc1ccc(O[C@@H]2CCOc3ccccc32)cc1 ZINC001234332388 1098538215 /nfs/dbraw/zinc/53/82/15/1098538215.db2.gz PEBABMKHHHPQSI-OAHLLOKOSA-N -1 2 322.253 3.061 20 0 DGADLM O=[P@]([O-])(O)Oc1ccc(O[C@@H]2CCOc3ccccc32)cc1 ZINC001234332388 1098538218 /nfs/dbraw/zinc/53/82/18/1098538218.db2.gz PEBABMKHHHPQSI-OAHLLOKOSA-N -1 2 322.253 3.061 20 0 DGADLM O=[P@@]([O-])(O)c1ccc(-c2cccc(N3CCCCC3)c2)cc1 ZINC001240253316 1100911757 /nfs/dbraw/zinc/91/17/57/1100911757.db2.gz NEDSOCZSFHEXGZ-UHFFFAOYSA-N -1 2 317.325 3.147 20 0 DGADLM O=[P@]([O-])(O)c1ccc(-c2cccc(N3CCCCC3)c2)cc1 ZINC001240253316 1100911763 /nfs/dbraw/zinc/91/17/63/1100911763.db2.gz NEDSOCZSFHEXGZ-UHFFFAOYSA-N -1 2 317.325 3.147 20 0 DGADLM CCN(CC)c1cc(F)cc(-c2ccc([P@@](=O)([O-])O)cc2)c1 ZINC001244825087 1103705692 /nfs/dbraw/zinc/70/56/92/1103705692.db2.gz BKHKMSVACXBIAN-UHFFFAOYSA-N -1 2 323.304 3.142 20 0 DGADLM CCN(CC)c1cc(F)cc(-c2ccc([P@](=O)([O-])O)cc2)c1 ZINC001244825087 1103705701 /nfs/dbraw/zinc/70/57/01/1103705701.db2.gz BKHKMSVACXBIAN-UHFFFAOYSA-N -1 2 323.304 3.142 20 0 DGADLM COc1cc2ccccc2cc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001245416567 1104036140 /nfs/dbraw/zinc/03/61/40/1104036140.db2.gz ATYGUDJLBJBIEZ-UHFFFAOYSA-N -1 2 314.277 3.318 20 0 DGADLM COc1cc2ccccc2cc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001245416567 1104036150 /nfs/dbraw/zinc/03/61/50/1104036150.db2.gz ATYGUDJLBJBIEZ-UHFFFAOYSA-N -1 2 314.277 3.318 20 0 DGADLM O=S(=O)([N-]c1cc(O)c(Cl)cc1F)c1cccs1 ZINC001250915762 1105604487 /nfs/dbraw/zinc/60/44/87/1105604487.db2.gz JAOGTBCWHVHIJS-UHFFFAOYSA-N -1 2 307.755 3.047 20 0 DGADLM CCc1ccc(S(=O)(=O)Nc2cc[nH+]c(C3CC3)c2)cc1 ZINC001255033257 1106170410 /nfs/dbraw/zinc/17/04/10/1106170410.db2.gz VSQSLVCBDSZKMJ-UHFFFAOYSA-N -1 2 302.399 3.322 20 0 DGADLM O=S(=O)(Nc1ccccc1[S-])c1ccc(Cl)s1 ZINC001256475395 1106427598 /nfs/dbraw/zinc/42/75/98/1106427598.db2.gz XOKBSNMGCRPNMW-UHFFFAOYSA-N -1 2 305.833 3.491 20 0 DGADLM C[C@@H]1CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000173988037 198277608 /nfs/dbraw/zinc/27/76/08/198277608.db2.gz FFXDHCHTJUQYHA-SNVBAGLBSA-N -1 2 315.398 3.229 20 0 DGADLM Cc1cccc2c(=O)c(C(=O)N3C[C@@H](C)S[C@H](C)C3)c[nH]c12 ZINC000164179700 432045518 /nfs/dbraw/zinc/04/55/18/432045518.db2.gz FKXKNGWYNYGWLQ-VXGBXAGGSA-N -1 2 316.426 3.215 20 0 DGADLM Oc1cc(F)cc(C[N@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000368700849 271195947 /nfs/dbraw/zinc/19/59/47/271195947.db2.gz WQLQRSNKNMTTAZ-PBHICJAKSA-N -1 2 323.314 3.117 20 0 DGADLM CCOc1ccccc1C[N@H+](C)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000177922600 432674552 /nfs/dbraw/zinc/67/45/52/432674552.db2.gz ORSWUEVERJWPFF-CYBMUJFWSA-N -1 2 301.390 3.082 20 0 DGADLM Oc1ccc(F)c(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1F ZINC000293977532 433947639 /nfs/dbraw/zinc/94/76/39/433947639.db2.gz RAOOZRXEPMEVFY-HOCLYGCPSA-N -1 2 309.356 3.204 20 0 DGADLM C[C@H]1CC[N@@H+](Cc2cccc(O)c2Br)C[C@@H]1F ZINC000656531910 435966675 /nfs/dbraw/zinc/96/66/75/435966675.db2.gz WDVIYJGLBIGVJG-ONGXEEELSA-N -1 2 302.187 3.335 20 0 DGADLM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cccc2[nH]nnc21 ZINC000542821094 314101395 /nfs/dbraw/zinc/10/13/95/314101395.db2.gz WYHJMGNGGPESTG-CQSZACIVSA-N -1 2 324.384 3.303 20 0 DGADLM Cc1[nH+]c2cc(NS(=O)(=O)CCC3CCCC3)ccc2n1C ZINC000562707205 315046567 /nfs/dbraw/zinc/04/65/67/315046567.db2.gz CWXOGNXPHSXQAZ-UHFFFAOYSA-N -1 2 321.446 3.204 20 0 DGADLM C[C@@H]1C[N@@H+](Cc2cccc(O)c2Br)C[C@H](C)S1 ZINC000564054432 315154415 /nfs/dbraw/zinc/15/44/15/315154415.db2.gz KULCAVVBYYCHFR-AOOOYVTPSA-N -1 2 316.264 3.481 20 0 DGADLM CC[C@H](NC(=O)c1cccc2[nH]nnc21)c1cc(F)ccc1F ZINC000180055219 323220916 /nfs/dbraw/zinc/22/09/16/323220916.db2.gz WCTQYFCGULEQNE-ZDUSSCGKSA-N -1 2 316.311 3.117 20 0 DGADLM CCC(CC)Nc1c(-c2nn[nH]n2)c[nH+]c2ccc(Cl)cc21 ZINC000736344927 574744617 /nfs/dbraw/zinc/74/46/17/574744617.db2.gz DAJKJPDHBBRRMP-UHFFFAOYSA-N -1 2 316.796 3.091 20 0 DGADLM CC[C@H]1CCC[N@@H+](Cn2[nH]c(-c3ccccn3)nc2=S)CC1 ZINC000153328401 620550225 /nfs/dbraw/zinc/55/02/25/620550225.db2.gz JHQBJNNZASDODK-ZDUSSCGKSA-N -1 2 317.462 3.472 20 0 DGADLM CN(C(=O)[O-])c1ccc(NC(=O)c2cc(F)c(O)c(F)c2)cc1 ZINC000830514536 629279802 /nfs/dbraw/zinc/27/98/02/629279802.db2.gz SRXFPGBGAGJMAN-UHFFFAOYSA-N -1 2 322.267 3.037 20 0 DGADLM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc(F)cc(F)c1O ZINC001588101289 1192433632 /nfs/dbraw/zinc/43/36/32/1192433632.db2.gz YWLNBLKXYHJPSZ-UHFFFAOYSA-N -1 2 322.292 3.353 20 0 DGADLM Cc1csc(NC(=O)c2cccc(Cl)c2O)c1C(=O)[O-] ZINC001600662016 1192890581 /nfs/dbraw/zinc/89/05/81/1192890581.db2.gz HVDOMHGIVBIUBN-UHFFFAOYSA-N -1 2 311.746 3.366 20 0 DGADLM Cc1cc(C=O)c([O-])c(C(=O)Nc2cccc(Cl)c2O)c1 ZINC001546332886 1186662270 /nfs/dbraw/zinc/66/22/70/1186662270.db2.gz OGKCIIKUQDNVKO-UHFFFAOYSA-N -1 2 305.717 3.124 20 0 DGADLM Cc1cc(C=O)c(O)c(C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC001546332886 1186662273 /nfs/dbraw/zinc/66/22/73/1186662273.db2.gz OGKCIIKUQDNVKO-UHFFFAOYSA-N -1 2 305.717 3.124 20 0 DGADLM COC(=O)c1cc(C[N@@H+](C)Cc2c(O)cccc2Cl)oc1C ZINC000122429597 1200266897 /nfs/dbraw/zinc/26/68/97/1200266897.db2.gz PDCDKYOVGSRYJS-UHFFFAOYSA-N -1 2 323.776 3.366 20 0 DGADLM