smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCCO[N-]C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001601995132 978879836 /nfs/dbraw/zinc/87/98/36/978879836.db2.gz NBZNPRXTZOIFQH-UWVGGRQHSA-N -2 3 241.287 1.335 20 0 BDADHL CC[C@@H](C)CO[N-]C(=O)CCSCC(=O)[O-] ZINC001604955908 979784561 /nfs/dbraw/zinc/78/45/61/979784561.db2.gz MQPDQIQWBRBJRW-MRVPVSSYSA-N -2 3 249.332 1.288 20 0 BDADHL O=C([O-])[C@@H](CF)NCc1cccc([O-])c1Cl ZINC001608535751 980227888 /nfs/dbraw/zinc/22/78/88/980227888.db2.gz ZFTJTITXHCAPED-SSDOTTSWSA-N -2 3 247.653 1.558 20 0 BDADHL C[C@H]1CC[C@H](OCCP(=O)([O-])[O-])C1 ZINC001224605295 973794865 /nfs/dbraw/zinc/79/48/65/973794865.db2.gz HIYACMVWJLYBRB-YUMQZZPRSA-N -2 3 208.194 1.369 20 0 BDADHL O=P([O-])([O-])CCOC1Cc2ccccc2C1 ZINC001224605979 973793867 /nfs/dbraw/zinc/79/38/67/973793867.db2.gz PHQCJKUPDSRHRW-UHFFFAOYSA-N -2 3 242.211 1.348 20 0 BDADHL Cc1cc([N-]c2nonc2N)cc(C)c1C(=O)[O-] ZINC001216308024 971027273 /nfs/dbraw/zinc/02/72/73/971027273.db2.gz OZUPRQJJELYTDW-UHFFFAOYSA-N -2 3 248.242 1.710 20 0 BDADHL Cc1ccc(C(=O)NC2CC(C(=O)[O-])C2)c([O-])c1 ZINC000693386175 958354539 /nfs/dbraw/zinc/35/45/39/958354539.db2.gz RNRLPTAGZJJLOV-UHFFFAOYSA-N -2 3 249.266 1.294 20 0 BDADHL O=P([O-])([O-])CCO[C@H]1CCCC[C@H]1F ZINC001224603362 964800133 /nfs/dbraw/zinc/80/01/33/964800133.db2.gz XSFJIMULPGXYEY-SFYZADRCSA-N -2 3 226.184 1.461 20 0 BDADHL C[C@H]1CC[C@H](OCCP(=O)([O-])[O-])CC1 ZINC001224606294 964800874 /nfs/dbraw/zinc/80/08/74/964800874.db2.gz NTPOVFKMEUOHNV-KYZUINATSA-N -2 3 222.221 1.759 20 0 BDADHL C[C@H]1CCC[C@H](OCCP(=O)([O-])[O-])C1 ZINC001224605749 964801592 /nfs/dbraw/zinc/80/15/92/964801592.db2.gz JTIKWCZYZAVHDF-IUCAKERBSA-N -2 3 222.221 1.759 20 0 BDADHL O=c1nc2cn[n-]c2c(O[C@H]2C=CCCC2)[n-]1 ZINC001233939016 965623012 /nfs/dbraw/zinc/62/30/12/965623012.db2.gz GHWFCADFLKOYBF-ZETCQYMHSA-N -2 3 232.243 1.134 20 0 BDADHL CS(=O)(=O)[N-]c1nc2c(cccc2[O-])s1 ZINC001252614067 968870597 /nfs/dbraw/zinc/87/05/97/968870597.db2.gz WIRKLZYVNCTVFO-UHFFFAOYSA-N -2 3 244.297 1.373 20 0 BDADHL O=C([O-])c1ccccc1Nc1cnc[n-]c1=O ZINC001210967116 970091094 /nfs/dbraw/zinc/09/10/94/970091094.db2.gz UYBCKKGJGITQKM-UHFFFAOYSA-N -2 3 231.211 1.624 20 0 BDADHL O=C([O-])c1cncc(-c2ccc(F)c([O-])c2)n1 ZINC001243054294 970210386 /nfs/dbraw/zinc/21/03/86/970210386.db2.gz MPCFVFWIGWCVGZ-UHFFFAOYSA-N -2 3 234.186 1.687 20 0 BDADHL O=S(=O)([N-]C1=CC=C[CH]1)c1ccccc1F ZINC001255529312 970292288 /nfs/dbraw/zinc/29/22/88/970292288.db2.gz SMXSMWYTCGUWCH-UHFFFAOYSA-N -2 3 238.263 1.762 20 0 BDADHL Cc1nnc([N-]c2cnc(F)c(C(=O)[O-])c2)o1 ZINC001215099688 970626823 /nfs/dbraw/zinc/62/68/23/970626823.db2.gz KOBJQCSOZRRAMN-UHFFFAOYSA-N -2 3 238.178 1.354 20 0 BDADHL Cc1coc([N-]c2cc(C(=O)[O-])cnc2F)n1 ZINC001215119750 970633208 /nfs/dbraw/zinc/63/32/08/970633208.db2.gz IFYGSGTXDDFEGS-UHFFFAOYSA-N -2 3 237.190 1.959 20 0 BDADHL O=C(NCCCCP(=O)([O-])[O-])C1CC=CC1 ZINC001146703409 973197630 /nfs/dbraw/zinc/19/76/30/973197630.db2.gz PPRSPZQTRUXQTD-UHFFFAOYSA-N -2 3 247.231 1.027 20 0 BDADHL C[C@H](OCCP(=O)([O-])[O-])c1ccccn1 ZINC001224601625 973787590 /nfs/dbraw/zinc/78/75/90/973787590.db2.gz ISDBSXYMIOPJAY-QMMMGPOBSA-N -2 3 231.188 1.337 20 0 BDADHL CCOC[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225023560 974143717 /nfs/dbraw/zinc/14/37/17/974143717.db2.gz YNEWNNMDMQQARX-SECBINFHSA-N -2 3 240.236 1.386 20 0 BDADHL CC1(C)CCC[C@@H](Oc2nc(=O)[n-]c(=O)[n-]2)C1 ZINC001227569964 975556001 /nfs/dbraw/zinc/55/60/01/975556001.db2.gz HPLDVOGVRTYHIT-SSDOTTSWSA-N -2 3 239.275 1.630 20 0 BDADHL CCC[C@H](Oc1nc(=O)[n-]c(=O)[n-]1)C(C)C ZINC001227570854 975564373 /nfs/dbraw/zinc/56/43/73/975564373.db2.gz OLCUPSWAFNHDPB-ZETCQYMHSA-N -2 3 227.264 1.486 20 0 BDADHL O=c1nc2cn[n-]c2c(OC2CCCCC2)[n-]1 ZINC001233934344 978736860 /nfs/dbraw/zinc/73/68/60/978736860.db2.gz JYGAFKPXPSVVJD-UHFFFAOYSA-N -2 3 234.259 1.358 20 0 BDADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)C1CCCC1 ZINC001233940541 978738174 /nfs/dbraw/zinc/73/81/74/978738174.db2.gz XQHNVCDEHRYZHE-ZETCQYMHSA-N -2 3 248.286 1.604 20 0 BDADHL O=C([O-])CCC(=O)NCc1ccc([O-])c(F)c1 ZINC001606099011 979954804 /nfs/dbraw/zinc/95/48/04/979954804.db2.gz YWNITSHZSXNTKP-UHFFFAOYSA-N -2 3 241.218 1.012 20 0 BDADHL CSCCO[N-]C(=O)CCCCC(=O)[O-] ZINC001599800606 988169492 /nfs/dbraw/zinc/16/94/92/988169492.db2.gz FHQMJGZJWSIIKI-UHFFFAOYSA-N -2 3 235.305 1.042 20 0 BDADHL CC(C)(C)O[N-]C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001590398642 989931653 /nfs/dbraw/zinc/93/16/53/989931653.db2.gz KZLOGQOWMBLOKK-UHFFFAOYSA-N -2 3 227.260 1.088 20 0 BDADHL O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000634824444 344665732 /nfs/dbraw/zinc/66/57/32/344665732.db2.gz TYSCCADPYWKWHK-RNFRBKRXSA-N -2 3 239.202 1.191 20 0 BDADHL Cc1cc(Cl)cc([N-]S(C)(=O)=O)c1[O-] ZINC000135068886 187361325 /nfs/dbraw/zinc/36/13/25/187361325.db2.gz XHTZMIJNTDMNOC-UHFFFAOYSA-N -2 3 235.692 1.726 20 0 BDADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1cocn1 ZINC000591153234 347626142 /nfs/dbraw/zinc/62/61/42/347626142.db2.gz SHYFONSSRIBSPW-UHFFFAOYSA-N -2 3 247.136 1.064 20 0 BDADHL Cn1[n-]c(C(=O)Nc2ccccc2[O-])cc1=O ZINC000622322277 370848528 /nfs/dbraw/zinc/84/85/28/370848528.db2.gz IMEDCLPJWQSOHG-UHFFFAOYSA-N -2 3 233.227 1.084 20 0 BDADHL CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccccc1[O-] ZINC000581669678 367700858 /nfs/dbraw/zinc/70/08/58/367700858.db2.gz CAENGCWFRIZUFH-SNVBAGLBSA-N -2 3 237.255 1.688 20 0 BDADHL O=C(Nc1ccccc1[O-])c1cncc([O-])c1 ZINC000171761379 384661104 /nfs/dbraw/zinc/66/11/04/384661104.db2.gz BWGOCASOZFVBMP-UHFFFAOYSA-N -2 3 230.223 1.745 20 0 BDADHL C[C@H]1CCCC[C@@H]1C(=O)N=c1ccc([O-])n[n-]1 ZINC000425559386 386634118 /nfs/dbraw/zinc/63/41/18/386634118.db2.gz GSSLFEFXNAEFJF-IUCAKERBSA-N -2 3 235.287 1.369 20 0 BDADHL Cc1ccc([O-])c(C(=O)N[C@H](C)CC(=O)[O-])c1 ZINC000035898495 387581655 /nfs/dbraw/zinc/58/16/55/387581655.db2.gz AGWSBHMJBKSYSS-MRVPVSSYSA-N -2 3 237.255 1.294 20 0 BDADHL CC[C@H]1CCCC[C@H]1C(=O)N=c1ccc([O-])n[n-]1 ZINC000361881133 387548676 /nfs/dbraw/zinc/54/86/76/387548676.db2.gz RMTHBRVVQFORGD-VHSXEESVSA-N -2 3 249.314 1.759 20 0 BDADHL O=C(Cc1cncc([O-])c1)Nc1ncccc1[O-] ZINC000553209916 388752715 /nfs/dbraw/zinc/75/27/15/388752715.db2.gz FQEFEJJGABMCOP-UHFFFAOYSA-N -2 3 245.238 1.069 20 0 BDADHL CCO[N-]C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000273692243 398000620 /nfs/dbraw/zinc/00/06/20/398000620.db2.gz LPYDNMARTYEDJT-UHFFFAOYSA-N -2 3 244.320 1.909 20 0 BDADHL CC(C)O[N-]C(=O)c1c(F)ccc([O-])c1F ZINC000295466884 167279758 /nfs/dbraw/zinc/27/97/58/167279758.db2.gz CQUOHLOQUROAIP-UHFFFAOYSA-N -2 3 231.198 1.740 20 0 BDADHL C[C@@H]1CC=CC[C@@H]1C(=O)N=c1ccc([O-])n[n-]1 ZINC000341689083 176058540 /nfs/dbraw/zinc/05/85/40/176058540.db2.gz XWVYIXODDHIOPR-BDAKNGLRSA-N -2 3 233.271 1.145 20 0 BDADHL O=C(C=CC1CCCC1)N=c1ccc([O-])n[n-]1 ZINC000493641870 226247079 /nfs/dbraw/zinc/24/70/79/226247079.db2.gz ANYXNTIFGQTPRT-FNORWQNLSA-N -2 3 233.271 1.289 20 0 BDADHL O=C(Nc1ccncc1[O-])c1ccc([O-])c(F)c1 ZINC000681059989 487710305 /nfs/dbraw/zinc/71/03/05/487710305.db2.gz QGJVITDQKWNWTF-UHFFFAOYSA-N -2 3 248.213 1.306 20 0 BDADHL O=C([N-]c1c([O-])cccc1F)c1cnco1 ZINC000677644673 488087073 /nfs/dbraw/zinc/08/70/73/488087073.db2.gz DTYNEGSQLYJETI-UHFFFAOYSA-N -2 3 222.175 1.772 20 0 BDADHL CO[N-]C(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000829060630 587481331 /nfs/dbraw/zinc/48/13/31/587481331.db2.gz AGFJTUYUUCBDRR-BDAKNGLRSA-N -2 3 244.291 1.271 20 0 BDADHL O=C([O-])Nc1ccc(C(=O)OCCF)cc1[O-] ZINC000833284186 587704646 /nfs/dbraw/zinc/70/46/46/587704646.db2.gz QLOVNAUNYAUYEP-UHFFFAOYSA-N -2 3 243.190 1.608 20 0 BDADHL O=C([O-])c1cccc(CC(=O)[N-]OC2CCC2)c1 ZINC000911813371 639802540 /nfs/dbraw/zinc/80/25/40/639802540.db2.gz LWDAEYOJZUHCSY-UHFFFAOYSA-N -2 3 249.266 1.528 20 0 BDADHL Cc1oc(C(=O)[O-])cc1CN(C)CCC(=O)[O-] ZINC001594507330 977699226 /nfs/dbraw/zinc/69/92/26/977699226.db2.gz XRYTZFXUOTXPDD-UHFFFAOYSA-N -2 3 241.243 1.193 20 0 BDADHL C=CS(=O)(=O)[N-]c1c([O-])cccc1F ZINC001198602357 982788299 /nfs/dbraw/zinc/78/82/99/982788299.db2.gz FLFPFCYLCBEOBL-UHFFFAOYSA-N -2 3 217.221 1.417 20 0 BDADHL CCC[C@H](CC)OCCP(=O)([O-])[O-] ZINC001224606588 973792842 /nfs/dbraw/zinc/79/28/42/973792842.db2.gz QSEFWVQNRYIUHR-QMMMGPOBSA-N -2 3 210.210 1.759 20 0 BDADHL C[C@H]1CCC[C@H]1OCCP(=O)([O-])[O-] ZINC001224604915 973793991 /nfs/dbraw/zinc/79/39/91/973793991.db2.gz GURKQBWVKFVKEO-JGVFFNPUSA-N -2 3 208.194 1.369 20 0 BDADHL O=C(C=Cc1cccs1)N=c1ccc([O-])n[n-]1 ZINC000588553181 958332931 /nfs/dbraw/zinc/33/29/31/958332931.db2.gz CQSINGDNIGEVFE-HYXAFXHYSA-N -2 3 247.279 1.318 20 0 BDADHL C[C@H]1CCCC[C@@H]1OCCP(=O)([O-])[O-] ZINC001224600929 964798937 /nfs/dbraw/zinc/79/89/37/964798937.db2.gz BXLKWOZYZRPQOY-IUCAKERBSA-N -2 3 222.221 1.759 20 0 BDADHL C[C@@H]1CCC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233938532 965623002 /nfs/dbraw/zinc/62/30/02/965623002.db2.gz CXJXEAVNEQOMCT-SFYZADRCSA-N -2 3 248.286 1.604 20 0 BDADHL Cc1nc(Nc2ccc(C(=O)[O-])nc2)cc(=O)[n-]1 ZINC001210170825 969817377 /nfs/dbraw/zinc/81/73/77/969817377.db2.gz WQZHFIMNWDAAHK-UHFFFAOYSA-N -2 3 246.226 1.327 20 0 BDADHL CCC[C@@H](CC)OCCP(=O)([O-])[O-] ZINC001224606586 973791636 /nfs/dbraw/zinc/79/16/36/973791636.db2.gz QSEFWVQNRYIUHR-MRVPVSSYSA-N -2 3 210.210 1.759 20 0 BDADHL CCC[C@H](CC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227568535 975553215 /nfs/dbraw/zinc/55/32/15/975553215.db2.gz NRYGRNPJXXCYCQ-LURJTMIESA-N -2 3 213.237 1.240 20 0 BDADHL CCC(CC)[C@H](CC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571069 975559482 /nfs/dbraw/zinc/55/94/82/975559482.db2.gz PGZKYAIIQYKHOH-QMMMGPOBSA-N -2 3 241.291 1.876 20 0 BDADHL O=C([O-])CCCOC(=O)c1cc2occc2[n-]1 ZINC001595053003 977930259 /nfs/dbraw/zinc/93/02/59/977930259.db2.gz RLLHCKRWCKDWKB-UHFFFAOYSA-N -2 3 237.211 1.783 20 0 BDADHL Cc1cccc([O-])c1C(=O)N[C@H](C)/C=C/C(=O)[O-] ZINC001600542882 978700889 /nfs/dbraw/zinc/70/08/89/978700889.db2.gz SVLGEGBELQFURZ-XCODYQFDSA-N -2 3 249.266 1.460 20 0 BDADHL O=C([O-])c1nsc([N-]C(=O)c2ccco2)n1 ZINC001602587210 979136137 /nfs/dbraw/zinc/13/61/37/979136137.db2.gz XKWJWXVRFSRIBL-UHFFFAOYSA-N -2 3 239.212 1.082 20 0 BDADHL CC(C)OCCCC(=O)[N-]OCCCC(=O)[O-] ZINC001603922942 979544371 /nfs/dbraw/zinc/54/43/71/979544371.db2.gz MSKBLTZEFVPMAU-UHFFFAOYSA-N -2 3 247.291 1.104 20 0 BDADHL O=C([O-])/C=C/c1ccc(C(=O)[N-]c2cnoc2)o1 ZINC001608660053 980256600 /nfs/dbraw/zinc/25/66/00/980256600.db2.gz ZCPITDFOTDFTTA-DUXPYHPUSA-N -2 3 248.194 1.618 20 0 BDADHL Cc1ccc([O-])c([N-]S(=O)(=O)CCCF)n1 ZINC001189868361 980823573 /nfs/dbraw/zinc/82/35/73/980823573.db2.gz GPKFCHCXZCMUDF-UHFFFAOYSA-N -2 3 248.279 1.197 20 0 BDADHL C=CS(=O)(=O)[N-]c1cc(F)c(F)cc1[O-] ZINC001198610530 982798144 /nfs/dbraw/zinc/79/81/44/982798144.db2.gz LZUDYQBBMSRYKW-UHFFFAOYSA-N -2 3 235.211 1.556 20 0 BDADHL CC[C@H](C)CON=c1cc(-c2nn[n-]n2)nc[n-]1 ZINC001590411270 982942469 /nfs/dbraw/zinc/94/24/69/982942469.db2.gz YMBVKQGHZOZHKP-ZETCQYMHSA-N -2 3 249.278 1.046 20 0 BDADHL CC[C@H](C)CON=c1cc(-c2nnn[n-]2)nc[n-]1 ZINC001590411270 982942482 /nfs/dbraw/zinc/94/24/82/982942482.db2.gz YMBVKQGHZOZHKP-ZETCQYMHSA-N -2 3 249.278 1.046 20 0 BDADHL O=C([O-])c1cncc(-c2ccc(=S)[n-]n2)c1 ZINC001241800675 983053647 /nfs/dbraw/zinc/05/36/47/983053647.db2.gz AXRGCCQJEONBFO-UHFFFAOYSA-N -2 3 233.252 1.526 20 0 BDADHL O=c1cc(CC2CCC2)[n-]n1-c1cc(=O)[n-]cn1 ZINC001245935891 987198286 /nfs/dbraw/zinc/19/82/86/987198286.db2.gz FGHOLDCVSMCRLR-UHFFFAOYSA-N -2 3 246.270 1.416 20 0 BDADHL Cc1ccc(C(=O)N(C)[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000054051174 178379935 /nfs/dbraw/zinc/37/99/35/178379935.db2.gz XUQJFXZXHCQKAB-QMMMGPOBSA-N -2 3 237.255 1.246 20 0 BDADHL CC(C)CO[N-]C(=O)C(=O)c1ccc([O-])cc1 ZINC000283666708 187343988 /nfs/dbraw/zinc/34/39/88/187343988.db2.gz DVNRZIKNFZOTBZ-UHFFFAOYSA-N -2 3 237.255 1.279 20 0 BDADHL CC(C)[C@H](C(=O)[O-])C(=O)Nc1ncccc1[O-] ZINC000579250479 344948394 /nfs/dbraw/zinc/94/83/94/344948394.db2.gz XMYKSINKNFJCNM-QMMMGPOBSA-N -2 3 238.243 1.083 20 0 BDADHL O=c1[n-]c(-c2ccc([O-])cn2)nc2cccnc21 ZINC000427459276 191076249 /nfs/dbraw/zinc/07/62/49/191076249.db2.gz LTQALFQUWMSFFZ-UHFFFAOYSA-N -2 3 240.222 1.498 20 0 BDADHL C[C@@H]1CC[C@@H](C(=O)N=c2ccc([O-])n[n-]2)C[C@H]1C ZINC000410717554 191146764 /nfs/dbraw/zinc/14/67/64/191146764.db2.gz JTBNICCMDDUXAC-OPRDCNLKSA-N -2 3 249.314 1.615 20 0 BDADHL C[C@H](CN(C)C(=O)c1ccccc1[O-])C(=O)[O-] ZINC000042694306 352623033 /nfs/dbraw/zinc/62/30/33/352623033.db2.gz KBHFHQQECWIGBW-MRVPVSSYSA-N -2 3 237.255 1.185 20 0 BDADHL O=C(Nc1c([O-])cccc1F)c1cncc([O-])c1 ZINC000608366082 355378840 /nfs/dbraw/zinc/37/88/40/355378840.db2.gz NBNKKXZDXSYEAB-UHFFFAOYSA-N -2 3 248.213 1.884 20 0 BDADHL CCCN(CC(=O)[O-])[C@@H](CC(C)C)C(=O)[O-] ZINC000629487298 361095814 /nfs/dbraw/zinc/09/58/14/361095814.db2.gz BCHNIHVYYMYNBD-VIFPVBQESA-N -2 3 231.292 1.282 20 0 BDADHL CCC[C@@H](C(=O)[O-])[S@](=O)c1ccc([O-])cc1 ZINC000521825018 259551791 /nfs/dbraw/zinc/55/17/91/259551791.db2.gz KYOVQJUUPJFEMM-MGPLVRAMSA-N -2 3 242.296 1.753 20 0 BDADHL O=C([N-]OCC1CC1)C(=O)c1ccc([O-])cc1 ZINC000293701978 182281792 /nfs/dbraw/zinc/28/17/92/182281792.db2.gz DMBSHVDFKJAOHD-UHFFFAOYSA-N -2 3 235.239 1.033 20 0 BDADHL O=C(Nc1ncccc1[O-])c1cc(F)ccc1[O-] ZINC000039073049 182399104 /nfs/dbraw/zinc/39/91/04/182399104.db2.gz HJXKFIOAUSINMA-UHFFFAOYSA-N -2 3 248.213 1.884 20 0 BDADHL CCCN(CC(=O)[O-])C(=O)c1ccccc1[O-] ZINC000038019436 169097685 /nfs/dbraw/zinc/09/76/85/169097685.db2.gz TYXKWMFFROTKIW-UHFFFAOYSA-N -2 3 237.255 1.329 20 0 BDADHL O=C(Nc1ncccc1[O-])c1c([O-])cccc1O ZINC000181004744 385401951 /nfs/dbraw/zinc/40/19/51/385401951.db2.gz QNUYRRHCINZDCD-UHFFFAOYSA-N -2 3 246.222 1.451 20 0 BDADHL CC(=O)c1[n-]c(=N[C@H](C)CC(=O)[O-])sc1C ZINC000416428189 386303437 /nfs/dbraw/zinc/30/34/37/386303437.db2.gz SXRBAGXNYIQJQQ-RXMQYKEDSA-N -2 3 242.300 1.351 20 0 BDADHL Cc1cnc(C(=O)Nc2ncccc2[O-])c([O-])c1 ZINC000358544733 386976250 /nfs/dbraw/zinc/97/62/50/386976250.db2.gz HCTPCDPOFSJDDO-UHFFFAOYSA-N -2 3 245.238 1.449 20 0 BDADHL CCCC(C)(C)CC(=O)N=c1ccc([O-])n[n-]1 ZINC000362545733 387628771 /nfs/dbraw/zinc/62/87/71/387628771.db2.gz RKNUZVODZQCMKN-UHFFFAOYSA-N -2 3 237.303 1.759 20 0 BDADHL CCC[C@@H]([N-]c1nc(C(C)C)no1)C(=O)[O-] ZINC000263567322 135362543 /nfs/dbraw/zinc/36/25/43/135362543.db2.gz XLBFDEQNHWZGGT-SSDOTTSWSA-N -2 3 227.264 1.858 20 0 BDADHL O=C(C=Cc1ccccc1)N=c1ccc([O-])n[n-]1 ZINC000492681858 226037220 /nfs/dbraw/zinc/03/72/20/226037220.db2.gz OTJBONCYHFWGBM-VURMDHGXSA-N -2 3 241.250 1.256 20 0 BDADHL O=C([N-]c1c([O-])cccc1F)c1csnn1 ZINC000678374299 488247958 /nfs/dbraw/zinc/24/79/58/488247958.db2.gz CMZFMQOJRXKXHQ-UHFFFAOYSA-N -2 3 239.231 1.635 20 0 BDADHL O=C([O-])CCC(=O)NCc1c([O-])cccc1F ZINC000902854233 584685210 /nfs/dbraw/zinc/68/52/10/584685210.db2.gz ZJSHGMHQGAJTJP-UHFFFAOYSA-N -2 3 241.218 1.012 20 0 BDADHL CCO[N-]C(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000809928551 586523743 /nfs/dbraw/zinc/52/37/43/586523743.db2.gz LODOAXNRMIPJHT-YFKPBYRVSA-N -2 3 246.292 1.319 20 0 BDADHL C[C@H](CC(=O)[O-])C(=O)Nc1cccc([O-])c1F ZINC000911431128 639645214 /nfs/dbraw/zinc/64/52/14/639645214.db2.gz KSRROQZEMDYADF-ZCFIWIBFSA-N -2 3 241.218 1.581 20 0 BDADHL O=C([O-])CSCCC(=O)[N-]OCCC1CC1 ZINC000911809762 639830492 /nfs/dbraw/zinc/83/04/92/639830492.db2.gz NFJJTNIRMGVHBY-UHFFFAOYSA-N -2 3 247.316 1.042 20 0 BDADHL O=C([O-])CCCCC(=O)[N-]OC1CCC1 ZINC000911812489 639834802 /nfs/dbraw/zinc/83/48/02/639834802.db2.gz IPOAMUQFGKKLMA-UHFFFAOYSA-N -2 3 215.249 1.232 20 0 BDADHL Cc1ccc(C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])c([O-])c1 ZINC000715281878 712515327 /nfs/dbraw/zinc/51/53/27/712515327.db2.gz DXEPIFYWGQQEOA-WPRPVWTQSA-N -2 3 249.266 1.151 20 0 BDADHL C[C@H](Cc1ccco1)OCCP(=O)([O-])[O-] ZINC001224601313 964801890 /nfs/dbraw/zinc/80/18/90/964801890.db2.gz GFXYMDDGJRQXIU-MRVPVSSYSA-N -2 3 234.188 1.405 20 0 BDADHL C[C@H]1CCC[C@@H]1OCCP(=O)([O-])[O-] ZINC001224602975 973789120 /nfs/dbraw/zinc/78/91/20/973789120.db2.gz GURKQBWVKFVKEO-YUMQZZPRSA-N -2 3 208.194 1.369 20 0 BDADHL CC[C@@H](C)[C@H](C)OCCP(=O)([O-])[O-] ZINC001224600888 973789349 /nfs/dbraw/zinc/78/93/49/973789349.db2.gz BLPUNHFIBJPSRL-SFYZADRCSA-N -2 3 210.210 1.615 20 0 BDADHL CCO[C@H](C)COCCCCP(=O)([O-])[O-] ZINC001225019626 974150389 /nfs/dbraw/zinc/15/03/89/974150389.db2.gz ZARNINAKBFZRIJ-SECBINFHSA-N -2 3 240.236 1.386 20 0 BDADHL O=C([O-])[C@H]([N-]C(=O)C(F)F)c1cccs1 ZINC000236440735 960604542 /nfs/dbraw/zinc/60/45/42/960604542.db2.gz ZSXQWRGOEKBJKF-RXMQYKEDSA-N -2 3 235.211 1.255 20 0 BDADHL C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)[O-] ZINC001609982510 970628951 /nfs/dbraw/zinc/62/89/51/970628951.db2.gz AJNSESLUSRJHDF-RXMQYKEDSA-N -2 3 223.184 1.391 20 0 BDADHL CCCCC[C@@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227566069 975548673 /nfs/dbraw/zinc/54/86/73/975548673.db2.gz FFJYMUYUWPBAID-SSDOTTSWSA-N -2 3 227.264 1.630 20 0 BDADHL CC[C@@H](Oc1nc(=O)[n-]c(=O)[n-]1)C(C)C ZINC001227569738 975554614 /nfs/dbraw/zinc/55/46/14/975554614.db2.gz GFWJYHGRIVHARO-ZCFIWIBFSA-N -2 3 213.237 1.096 20 0 BDADHL O=C([O-])c1cccc(Nc2cnc[n-]c2=O)c1 ZINC001175328611 977378768 /nfs/dbraw/zinc/37/87/68/977378768.db2.gz KXHIQYFHVTUTFT-UHFFFAOYSA-N -2 3 231.211 1.624 20 0 BDADHL O=C([O-])c1cncc(Nc2cnc[n-]c2=O)c1 ZINC001175839831 977758833 /nfs/dbraw/zinc/75/88/33/977758833.db2.gz CRNKTQZCXMQVPK-UHFFFAOYSA-N -2 3 232.199 1.019 20 0 BDADHL O=C([O-])CCC(=O)Nc1c([O-])cccc1Cl ZINC001594997010 977908877 /nfs/dbraw/zinc/90/88/77/977908877.db2.gz ZPFZEXDNRPXOQO-UHFFFAOYSA-N -2 3 243.646 1.849 20 0 BDADHL O=C([O-])COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC001595102984 977951279 /nfs/dbraw/zinc/95/12/79/977951279.db2.gz GRHDZIIJBXAZIR-UHFFFAOYSA-N -2 3 238.026 1.563 20 0 BDADHL Cc1cccc([O-])c1C(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001600542513 978701505 /nfs/dbraw/zinc/70/15/05/978701505.db2.gz DKQVVDJCXJEIAH-BDAKNGLRSA-N -2 3 249.266 1.294 20 0 BDADHL O=c1nc2cn[n-]c2c(OC2CCCCCC2)[n-]1 ZINC001233939918 978737548 /nfs/dbraw/zinc/73/75/48/978737548.db2.gz QOJVSSSPMFDENC-UHFFFAOYSA-N -2 3 248.286 1.748 20 0 BDADHL O=C([O-])c1ccc(C(=O)Nc2ncccc2[O-])[nH]1 ZINC001602326395 979104666 /nfs/dbraw/zinc/10/46/66/979104666.db2.gz XYZRBOIRGYTPLS-UHFFFAOYSA-N -2 3 247.210 1.066 20 0 BDADHL [CH2]CC[N-]S(=O)(=O)c1cccnc1Cl ZINC001184895087 980146558 /nfs/dbraw/zinc/14/65/58/980146558.db2.gz GUKWCWBKDMNBBQ-UHFFFAOYSA-N -2 3 233.700 1.237 20 0 BDADHL O=C([N-]c1cnoc1)c1c(F)ccc([O-])c1F ZINC001192523982 981166015 /nfs/dbraw/zinc/16/60/15/981166015.db2.gz IIZGWHLIONXDSA-UHFFFAOYSA-N -2 3 240.165 1.911 20 0 BDADHL CC(C)OC(=O)NCCCCP(=O)([O-])[O-] ZINC001193513315 981367019 /nfs/dbraw/zinc/36/70/19/981367019.db2.gz WVDPGBQBECCTEL-UHFFFAOYSA-N -2 3 239.208 1.079 20 0 BDADHL O=c1cc(CC2CC2)[n-]n1-c1cc(=O)[n-]cn1 ZINC001245952586 987230732 /nfs/dbraw/zinc/23/07/32/987230732.db2.gz CRKRBGSJJQEOHO-UHFFFAOYSA-N -2 3 232.243 1.026 20 0 BDADHL Cc1ccc(C(=O)N(CC(=O)[O-])C2CC2)c([O-])c1 ZINC000037588548 178380633 /nfs/dbraw/zinc/38/06/33/178380633.db2.gz KPZIGFAWLZOVEX-UHFFFAOYSA-N -2 3 249.266 1.390 20 0 BDADHL Cc1ccc(C(=O)NCC2(C(=O)[O-])CC2)c([O-])c1 ZINC000138875060 178404230 /nfs/dbraw/zinc/40/42/30/178404230.db2.gz CNNONVZTKOIARQ-UHFFFAOYSA-N -2 3 249.266 1.295 20 0 BDADHL O=C([O-])[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000011639234 342842241 /nfs/dbraw/zinc/84/22/41/342842241.db2.gz VPDNBAKTYVODLO-JTQLQIEISA-N -2 3 249.266 1.472 20 0 BDADHL Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000019402092 342947844 /nfs/dbraw/zinc/94/78/44/342947844.db2.gz COIYHYAMZHEQFB-SNVBAGLBSA-N -2 3 249.266 1.390 20 0 BDADHL CC(C)(C(=O)N=c1ccc([O-])n[n-]1)C(C)(F)F ZINC000410719884 191146832 /nfs/dbraw/zinc/14/68/32/191146832.db2.gz PJNWGFICFINHIN-UHFFFAOYSA-N -2 3 245.229 1.224 20 0 BDADHL CC(C)CO[N-]C(=O)c1c(F)ccc([O-])c1F ZINC000283694989 188033513 /nfs/dbraw/zinc/03/35/13/188033513.db2.gz HOQMMIAQYUMASE-UHFFFAOYSA-N -2 3 245.225 1.988 20 0 BDADHL CC(C)[C@@H](C(=O)[O-])[S@@](=O)c1cccc([O-])c1 ZINC000582590497 357346782 /nfs/dbraw/zinc/34/67/82/357346782.db2.gz AJWLPCBNZLBHTJ-QFYYESIMSA-N -2 3 242.296 1.609 20 0 BDADHL CC1(C)CCCC[C@H]1C(=O)N=c1ccc([O-])n[n-]1 ZINC000448398035 385490934 /nfs/dbraw/zinc/49/09/34/385490934.db2.gz ZBRFOKBOUNRLAK-VIFPVBQESA-N -2 3 249.314 1.759 20 0 BDADHL Cc1n[n-]c(=NCc2c(F)ccc([O-])c2F)o1 ZINC000340560730 386228605 /nfs/dbraw/zinc/22/86/05/386228605.db2.gz ZEPDKBBNTNTCPE-UHFFFAOYSA-N -2 3 241.197 1.396 20 0 BDADHL CCC[C@H](C(=O)[O-])[S@](=O)c1ccc([O-])cc1 ZINC000521825020 388630773 /nfs/dbraw/zinc/63/07/73/388630773.db2.gz KYOVQJUUPJFEMM-QLJPJBMISA-N -2 3 242.296 1.753 20 0 BDADHL C[C@@H]1CN(C(=O)c2cccc([O-])c2)C[C@H]1C(=O)[O-] ZINC000104202716 176262109 /nfs/dbraw/zinc/26/21/09/176262109.db2.gz XMVALSMQQDGBPI-LDYMZIIASA-N -2 3 249.266 1.185 20 0 BDADHL Cc1ccc([O-])c(C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000054309527 491088011 /nfs/dbraw/zinc/08/80/11/491088011.db2.gz SQTDAGQUCNWATD-QMMMGPOBSA-N -2 3 237.255 1.151 20 0 BDADHL Cc1ccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2C)c([O-])c1 ZINC000901604793 584468775 /nfs/dbraw/zinc/46/87/75/584468775.db2.gz AXCAILGRGNXMKJ-OQPBUACISA-N -2 3 249.266 1.750 20 0 BDADHL O=C([O-])CCCCOC(=O)c1ccc([O-])cc1 ZINC000205558030 585016031 /nfs/dbraw/zinc/01/60/31/585016031.db2.gz APQNIDYVMQTKOX-UHFFFAOYSA-N -2 3 238.239 1.804 20 0 BDADHL CCO[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737179660 585027098 /nfs/dbraw/zinc/02/70/98/585027098.db2.gz PWWLULXNZIHBBN-UHFFFAOYSA-N -2 3 237.255 1.385 20 0 BDADHL CCCON=C([O-])N=c1cn[n-]s1 ZINC000831700701 587627986 /nfs/dbraw/zinc/62/79/86/587627986.db2.gz NFTSSLFUCRZLQO-UHFFFAOYSA-N -2 3 202.239 1.001 20 0 BDADHL C[C@@H](NC(=O)[O-])C(=O)Nc1ccc([O-])cc1F ZINC000833894625 587738591 /nfs/dbraw/zinc/73/85/91/587738591.db2.gz CRCTYYJHUIAEAZ-RXMQYKEDSA-N -2 3 242.206 1.126 20 0 BDADHL O=C([O-])CCC(=O)[N-]OCc1ccccc1 ZINC000005947077 588310087 /nfs/dbraw/zinc/31/00/87/588310087.db2.gz JPAYUEFYDOGISN-UHFFFAOYSA-N -2 3 223.228 1.099 20 0 BDADHL CCN(CCC(=O)[O-])C(=O)c1ccccc1[O-] ZINC000038023023 599913994 /nfs/dbraw/zinc/91/39/94/599913994.db2.gz RPJZKVLJZXQVEK-UHFFFAOYSA-N -2 3 237.255 1.329 20 0 BDADHL C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccccc1[O-] ZINC000079475690 636859806 /nfs/dbraw/zinc/85/98/06/636859806.db2.gz LYJRCYRXCQRFLW-CYBMUJFWSA-N -2 3 249.266 1.472 20 0 BDADHL C[C@@H](CC(=O)[O-])CC(=O)[N-]OCCC1CC1 ZINC000911811104 639832699 /nfs/dbraw/zinc/83/26/99/639832699.db2.gz TYQKOSISXZDISO-MRVPVSSYSA-N -2 3 229.276 1.335 20 0 BDADHL O=C([O-])c1ccc(CC(=O)[N-]OCC2CC2)cc1 ZINC000911810486 639832771 /nfs/dbraw/zinc/83/27/71/639832771.db2.gz QNMWSBHRJAVDSB-UHFFFAOYSA-N -2 3 249.266 1.385 20 0 BDADHL CC[S@@](C)(=O)=NC(=O)c1ccc([O-])cc1[O-] ZINC000395767446 711697213 /nfs/dbraw/zinc/69/72/13/711697213.db2.gz DXDUNLNDKHVXED-MRXNPFEDSA-N -2 3 243.284 1.356 20 0 BDADHL CC[C@@H](OCCP(=O)([O-])[O-])C(C)C ZINC001224602880 964801860 /nfs/dbraw/zinc/80/18/60/964801860.db2.gz UCKGWHHSJYJMSH-MRVPVSSYSA-N -2 3 210.210 1.615 20 0 BDADHL CCC(F)(F)C(=O)[N-]Cc1nc(C(=O)[O-])co1 ZINC001605065155 979807244 /nfs/dbraw/zinc/80/72/44/979807244.db2.gz NQYZBNOBPBWYFI-UHFFFAOYSA-N -2 3 248.185 1.034 20 0 BDADHL O=P([O-])([O-])CCOC1CCSCC1 ZINC001224606797 973795291 /nfs/dbraw/zinc/79/52/91/973795291.db2.gz SDHWOLFVPOUKGG-UHFFFAOYSA-N -2 3 226.234 1.076 20 0 BDADHL O=P([O-])([O-])CCO[C@H]1CCc2ccccc21 ZINC001224603689 973795952 /nfs/dbraw/zinc/79/59/52/973795952.db2.gz IYLXAAQXNPVHBC-NSHDSACASA-N -2 3 242.211 1.868 20 0 BDADHL Cc1c(Nc2cnc[n-]c2=O)cccc1C(=O)[O-] ZINC001216658684 971149428 /nfs/dbraw/zinc/14/94/28/971149428.db2.gz GABJJUHIUCJVBL-UHFFFAOYSA-N -2 3 245.238 1.932 20 0 BDADHL O=P([O-])([O-])CCCCOC1CCC1 ZINC001225019899 974149063 /nfs/dbraw/zinc/14/90/63/974149063.db2.gz BVZJDJKTUAVODI-UHFFFAOYSA-N -2 3 208.194 1.513 20 0 BDADHL Cc1cc(Nc2cnc[n-]c2=O)cc(C(=O)[O-])c1 ZINC001211539304 958849993 /nfs/dbraw/zinc/84/99/93/958849993.db2.gz QBXXILKVTNWZQS-UHFFFAOYSA-N -2 3 245.238 1.932 20 0 BDADHL Cc1nc(Nc2cccc(C(=O)[O-])c2)cc(=O)[n-]1 ZINC000163072647 967349571 /nfs/dbraw/zinc/34/95/71/967349571.db2.gz LGHSYIRSIFPQDX-UHFFFAOYSA-N -2 3 245.238 1.932 20 0 BDADHL C[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)[O-] ZINC001609982531 970628534 /nfs/dbraw/zinc/62/85/34/970628534.db2.gz AJNSESLUSRJHDF-YFKPBYRVSA-N -2 3 223.184 1.391 20 0 BDADHL C[C@H]1C[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)C[C@@H](C)C1 ZINC001227565796 975549024 /nfs/dbraw/zinc/54/90/24/975549024.db2.gz BXGWRTQMHYANFY-JIGDXULJSA-N -2 3 239.275 1.486 20 0 BDADHL O=c1nc(OC2CCCCCC2)[n-]c(=O)[n-]1 ZINC001227568954 975555079 /nfs/dbraw/zinc/55/50/79/975555079.db2.gz RBWGNZZIMBDZMA-UHFFFAOYSA-N -2 3 225.248 1.384 20 0 BDADHL CC(C)CC[C@@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571710 975564835 /nfs/dbraw/zinc/56/48/35/975564835.db2.gz YEUGAKHQXGDVGW-SSDOTTSWSA-N -2 3 227.264 1.486 20 0 BDADHL Nc1nonc1[N-]c1cccc(C(=O)[O-])c1 ZINC001175328432 977380246 /nfs/dbraw/zinc/38/02/46/977380246.db2.gz JJLYMNIWOJQHAI-UHFFFAOYSA-N -2 3 220.188 1.094 20 0 BDADHL Nc1nonc1[N-]c1ccc(C(=O)[O-])cc1 ZINC001176708346 978171775 /nfs/dbraw/zinc/17/17/75/978171775.db2.gz XPFWTQQTZISYIT-UHFFFAOYSA-N -2 3 220.188 1.094 20 0 BDADHL O=c1nc2cn[n-]c2c(O[C@@H]2C[C@H]3CC[C@@H]2C3)[n-]1 ZINC001233938141 978736537 /nfs/dbraw/zinc/73/65/37/978736537.db2.gz AUAFPONRIGOBKF-LKEWCRSYSA-N -2 3 246.270 1.214 20 0 BDADHL CC(C)C[C@@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233933794 978736569 /nfs/dbraw/zinc/73/65/69/978736569.db2.gz DQOIKKIIRFDMLL-SSDOTTSWSA-N -2 3 236.275 1.460 20 0 BDADHL C[C@H]1CC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)CC1 ZINC001233939612 978737824 /nfs/dbraw/zinc/73/78/24/978737824.db2.gz LUNYZRRGNIQZJM-ZKCHVHJHSA-N -2 3 248.286 1.604 20 0 BDADHL O=C([O-])CC1(C(=O)[N-]OCC2CCC2)CCC1 ZINC001606072062 979948199 /nfs/dbraw/zinc/94/81/99/979948199.db2.gz ZZQQZYRHTHUMNF-UHFFFAOYSA-N -2 3 241.287 1.479 20 0 BDADHL CCCCCc1cc(=O)n(-c2cc(=O)[n-]cn2)[n-]1 ZINC001245943094 987221726 /nfs/dbraw/zinc/22/17/26/987221726.db2.gz HUUUARBHDKEVKC-UHFFFAOYSA-N -2 3 248.286 1.806 20 0 BDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H]1[CH]CC=C1 ZINC001258805161 991803599 /nfs/dbraw/zinc/80/35/99/991803599.db2.gz MYIZMNYIOISERO-SECBINFHSA-N -2 3 241.292 1.103 20 0 BDADHL Cc1cccc(C(=O)N(C)[C@H](C)C(=O)[O-])c1[O-] ZINC000054051173 179005690 /nfs/dbraw/zinc/00/56/90/179005690.db2.gz PYWOKGXISHDUJS-MRVPVSSYSA-N -2 3 237.255 1.246 20 0 BDADHL CC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000034972416 351370472 /nfs/dbraw/zinc/37/04/72/351370472.db2.gz HDSABKUJTKFAHI-ZCFIWIBFSA-N -2 3 247.272 1.055 20 0 BDADHL CCCc1c(C)[n-]n(-c2nnc(C)c(=O)[n-]2)c1=O ZINC000614184425 363747501 /nfs/dbraw/zinc/74/75/01/363747501.db2.gz AXDUBJAKANUSPQ-MRVPVSSYSA-N -2 3 249.274 1.024 20 0 BDADHL O=C(Nc1cccc(Cl)c1[O-])c1c[n-]nn1 ZINC000172355439 372953435 /nfs/dbraw/zinc/95/34/35/372953435.db2.gz JAMSXQDVNFBNGA-UHFFFAOYSA-N -2 3 238.634 1.416 20 0 BDADHL O=C(Nc1cccc(Cl)c1[O-])c1cnn[n-]1 ZINC000172355439 372953439 /nfs/dbraw/zinc/95/34/39/372953439.db2.gz JAMSXQDVNFBNGA-UHFFFAOYSA-N -2 3 238.634 1.416 20 0 BDADHL O=C(Nc1cccc(Cl)c1[O-])c1cn[n-]n1 ZINC000172355439 372953444 /nfs/dbraw/zinc/95/34/44/372953444.db2.gz JAMSXQDVNFBNGA-UHFFFAOYSA-N -2 3 238.634 1.416 20 0 BDADHL O=C(Nc1ccc([O-])cc1F)c1ncccc1[O-] ZINC000124547856 182361252 /nfs/dbraw/zinc/36/12/52/182361252.db2.gz OLDILMRAXKJUAX-UHFFFAOYSA-N -2 3 248.213 1.884 20 0 BDADHL O=C(Nc1ncccc1[O-])c1ccccc1[O-] ZINC000090715573 385020609 /nfs/dbraw/zinc/02/06/09/385020609.db2.gz TXHPIZYWRQBQBW-UHFFFAOYSA-N -2 3 230.223 1.745 20 0 BDADHL CCc1ccc([O-])c(C(=O)NCCC(=O)[O-])c1 ZINC000263580641 135360885 /nfs/dbraw/zinc/36/08/85/135360885.db2.gz WDVPTXBVKZAGMR-UHFFFAOYSA-N -2 3 237.255 1.159 20 0 BDADHL CC(C)[C@H](C(=O)[O-])[S@](=O)c1ccc([O-])cc1 ZINC000556712082 322920250 /nfs/dbraw/zinc/92/02/50/322920250.db2.gz RIMPKVJHCKCTAY-QLJPJBMISA-N -2 3 242.296 1.609 20 0 BDADHL COCCS(=O)(=O)[N-]c1cc(C)ccc1[O-] ZINC000042809670 174373185 /nfs/dbraw/zinc/37/31/85/174373185.db2.gz GARSZCJGMIOXQS-UHFFFAOYSA-N -2 3 245.300 1.089 20 0 BDADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000097055405 487687389 /nfs/dbraw/zinc/68/73/89/487687389.db2.gz WARMZCOSIMUIGW-BDAKNGLRSA-N -2 3 249.266 1.375 20 0 BDADHL C[C@@H](OC(=O)c1ccc(Cl)cc1[O-])C(=O)[O-] ZINC000737706128 583704201 /nfs/dbraw/zinc/70/42/01/583704201.db2.gz OZZJLBGUAIRGAT-RXMQYKEDSA-N -2 3 244.630 1.676 20 0 BDADHL CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)[O-])n1 ZINC000818335786 586886675 /nfs/dbraw/zinc/88/66/75/586886675.db2.gz HSPSTUQVVORZQA-LURJTMIESA-N -2 3 242.300 1.451 20 0 BDADHL CO[N-]C(=O)C[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000829060866 587481265 /nfs/dbraw/zinc/48/12/65/587481265.db2.gz FOBGKBAIMPAGKM-BDAKNGLRSA-N -2 3 244.291 1.080 20 0 BDADHL O=C([O-])c1occc1C=Cc1nccc(=O)[n-]1 ZINC000833346553 587707467 /nfs/dbraw/zinc/70/74/67/587707467.db2.gz RMGFWYPWCOQDIM-OWOJBTEDSA-N -2 3 232.195 1.644 20 0 BDADHL O=C([O-])C[C@H](NC(=O)c1cccc([O-])c1)C1CC1 ZINC000137162474 592157258 /nfs/dbraw/zinc/15/72/58/592157258.db2.gz OOAOYAVWAHYIOI-NSHDSACASA-N -2 3 249.266 1.375 20 0 BDADHL C[C@H](CC(=O)[O-])CC(=O)[N-]OCCC1CC1 ZINC000911811106 639832991 /nfs/dbraw/zinc/83/29/91/639832991.db2.gz TYQKOSISXZDISO-QMMMGPOBSA-N -2 3 229.276 1.335 20 0 BDADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccco1 ZINC001186812023 980447319 /nfs/dbraw/zinc/44/73/19/980447319.db2.gz KHNWKYDSGQLUTG-UHFFFAOYSA-N -2 3 240.240 1.181 20 0 BDADHL C[C@H](OCCP(=O)([O-])[O-])c1cccnc1F ZINC001224601307 973785663 /nfs/dbraw/zinc/78/56/63/973785663.db2.gz GBDOYRGPHUTOAF-ZETCQYMHSA-N -2 3 249.178 1.476 20 0 BDADHL CO[C@H](C)CCOCCCCP(=O)([O-])[O-] ZINC001225021935 974149049 /nfs/dbraw/zinc/14/90/49/974149049.db2.gz KPSGOPRLWUTTDK-SECBINFHSA-N -2 3 240.236 1.386 20 0 BDADHL O=C([O-])c1coc(C(=O)[N-]c2cnoc2)c1 ZINC000128656178 958674419 /nfs/dbraw/zinc/67/44/19/958674419.db2.gz IQKUJPQCZLPLIW-UHFFFAOYSA-N -2 3 222.156 1.218 20 0 BDADHL Cc1ccccc1[C@@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571697 963537280 /nfs/dbraw/zinc/53/72/80/963537280.db2.gz YALYUEGWHLITGT-MRVPVSSYSA-N -2 3 247.254 1.731 20 0 BDADHL CCCC/C=C/[C@@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571739 963537398 /nfs/dbraw/zinc/53/73/98/963537398.db2.gz YNIUBUJLOFYOSP-HYDMIIDASA-N -2 3 239.275 1.797 20 0 BDADHL C[C@H](Oc1ccc(=O)[n-]n1)C1=CC=C[CH]1 ZINC001227093536 975264394 /nfs/dbraw/zinc/26/43/94/975264394.db2.gz NSFSEYGHLFYHDB-QMMMGPOBSA-N -2 3 203.221 1.650 20 0 BDADHL CC[C@H]1CCCC[C@@H]1Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227566423 975547581 /nfs/dbraw/zinc/54/75/81/975547581.db2.gz GBOVTZYSLDVTQG-YUMQZZPRSA-N -2 3 239.275 1.630 20 0 BDADHL CC[C@@H]1CCCC[C@H]1Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227566415 975550473 /nfs/dbraw/zinc/55/04/73/975550473.db2.gz GBOVTZYSLDVTQG-HTQZYQBOSA-N -2 3 239.275 1.630 20 0 BDADHL CC(C)(CC(=O)[O-])CC(=O)[N-]OCC1CC1 ZINC000688954701 976196836 /nfs/dbraw/zinc/19/68/36/976196836.db2.gz OSQSUNSYOALKTQ-UHFFFAOYSA-N -2 3 229.276 1.335 20 0 BDADHL Cn1cc(C(=O)[O-])nc1-c1ccc(=O)[n-]c1F ZINC001605484347 979879316 /nfs/dbraw/zinc/87/93/16/979879316.db2.gz XLOPRAOHWBHOJL-UHFFFAOYSA-N -2 3 237.190 1.025 20 0 BDADHL O=C([O-])CCC(=O)[N-]OCc1ccc(F)cc1 ZINC001606101867 979955909 /nfs/dbraw/zinc/95/59/09/979955909.db2.gz WRDHZEVWIVMNTO-UHFFFAOYSA-N -2 3 241.218 1.238 20 0 BDADHL Cc1cc(=O)[n-]c(C=Cc2cc(C(=O)[O-])co2)n1 ZINC001607698690 980124693 /nfs/dbraw/zinc/12/46/93/980124693.db2.gz FEVZMTURHYQCIS-IHWYPQMZSA-N -2 3 246.222 1.952 20 0 BDADHL O=C([O-])CCSc1cc(Cl)nc(=O)[n-]1 ZINC001608733879 980275640 /nfs/dbraw/zinc/27/56/40/980275640.db2.gz FKNUJPWOJPMTCA-UHFFFAOYSA-N -2 3 234.664 1.402 20 0 BDADHL CC(C)C[C@H](C)C(=O)[N-]OCCCC(=O)[O-] ZINC001591131819 991829938 /nfs/dbraw/zinc/82/99/38/991829938.db2.gz ZQOQUCWJUDOHGB-VIFPVBQESA-N -2 3 231.292 1.581 20 0 BDADHL CC[C@H](NC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000035409737 343296125 /nfs/dbraw/zinc/29/61/25/343296125.db2.gz PDQAOYDZLPPLIB-VIFPVBQESA-N -2 3 237.255 1.294 20 0 BDADHL Cc1ccc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c([O-])c1 ZINC000634816724 344407110 /nfs/dbraw/zinc/40/71/10/344407110.db2.gz ZHRJCCQCAPUOQF-HTQZYQBOSA-N -2 3 235.239 1.360 20 0 BDADHL Cc1cccc(C(=O)N(C)CCC(=O)[O-])c1[O-] ZINC000037931412 179004273 /nfs/dbraw/zinc/00/42/73/179004273.db2.gz CNNLWYVEVSNQLB-UHFFFAOYSA-N -2 3 237.255 1.247 20 0 BDADHL C[C@H]1CCC[C@]1(C)C(=O)N=c1ccc([O-])n[n-]1 ZINC000410717622 191146949 /nfs/dbraw/zinc/14/69/49/191146949.db2.gz JZOZBTUFIFFSKW-UFBFGSQYSA-N -2 3 235.287 1.369 20 0 BDADHL CCS(=O)(=O)[N-]c1cc(F)ccc1C(=O)[O-] ZINC000019256722 355957374 /nfs/dbraw/zinc/95/73/74/355957374.db2.gz FFAAFABGOKRGFF-UHFFFAOYSA-N -2 3 247.247 1.286 20 0 BDADHL O=C(Nc1ncccc1[O-])c1ccc([O-])cc1F ZINC000181063265 385402231 /nfs/dbraw/zinc/40/22/31/385402231.db2.gz WOCWSQPZFSZTOR-UHFFFAOYSA-N -2 3 248.213 1.884 20 0 BDADHL CC1(C)CCCC[C@@H]1C(=O)N=c1ccc([O-])n[n-]1 ZINC000448398034 385490052 /nfs/dbraw/zinc/49/00/52/385490052.db2.gz ZBRFOKBOUNRLAK-SECBINFHSA-N -2 3 249.314 1.759 20 0 BDADHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1CCC[C@@H](F)C1 ZINC000425559650 386634886 /nfs/dbraw/zinc/63/48/86/386634886.db2.gz HKMZNHMATOBAAD-HTQZYQBOSA-N -2 3 239.250 1.071 20 0 BDADHL Cc1cccc(C(=O)N[C@@H](C)CC(=O)[O-])c1[O-] ZINC000035904938 387583689 /nfs/dbraw/zinc/58/36/89/387583689.db2.gz FTCOQFLQYIRPNJ-QMMMGPOBSA-N -2 3 237.255 1.294 20 0 BDADHL CC(C)CC1(C(=O)N=c2ccc([O-])n[n-]2)CC1 ZINC000441296937 387743343 /nfs/dbraw/zinc/74/33/43/387743343.db2.gz OWYMNHIQFVKVAZ-UHFFFAOYSA-N -2 3 235.287 1.369 20 0 BDADHL CCc1ccc([O-])c(C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000263448255 135355749 /nfs/dbraw/zinc/35/57/49/135355749.db2.gz RPMIXDRQBLJCSQ-SSDOTTSWSA-N -2 3 237.255 1.158 20 0 BDADHL O=C([O-])CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000263576238 135361032 /nfs/dbraw/zinc/36/10/32/135361032.db2.gz QDYWTCCGEOUGNT-UHFFFAOYSA-N -2 3 249.266 1.085 20 0 BDADHL Cc1ccc([O-])c(NC(=O)C2=C([O-])C(C)N=N2)n1 ZINC000680320647 487560473 /nfs/dbraw/zinc/56/04/73/487560473.db2.gz BJWNGDYTESLNJN-UHFFFAOYSA-N -2 3 248.242 1.085 20 0 BDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000021811360 167130395 /nfs/dbraw/zinc/13/03/95/167130395.db2.gz KCBQKFDXGLBUMV-UHFFFAOYSA-N -2 3 249.313 1.133 20 0 BDADHL O=C([O-])c1cnc(C=Cc2cocn2)[n-]c1=O ZINC000670370166 488106815 /nfs/dbraw/zinc/10/68/15/488106815.db2.gz GZBKNOCZHRLQSH-UPHRSURJSA-N -2 3 233.183 1.039 20 0 BDADHL CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)[O-])n1 ZINC000818335787 586886687 /nfs/dbraw/zinc/88/66/87/586886687.db2.gz HSPSTUQVVORZQA-ZCFIWIBFSA-N -2 3 242.300 1.451 20 0 BDADHL C[C@@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)[O-] ZINC000820189701 587033274 /nfs/dbraw/zinc/03/32/74/587033274.db2.gz JIGPTTRQJVFUIL-RXMQYKEDSA-N -2 3 244.630 1.676 20 0 BDADHL CO[N-]C(=O)C[C@@H](C)C1CCN(C(=O)[O-])CC1 ZINC000829061327 587481085 /nfs/dbraw/zinc/48/10/85/587481085.db2.gz LKRWSZRZHGTVJT-MRVPVSSYSA-N -2 3 244.291 1.080 20 0 BDADHL CCCO[N-]C(=O)CCCC(=O)[N-]OCCC ZINC000844084181 588162616 /nfs/dbraw/zinc/16/26/16/588162616.db2.gz FGIBLSGNXJOMDN-UHFFFAOYSA-N -2 3 246.307 1.072 20 0 BDADHL CCCO[N-]C(=O)c1c(F)ccc([O-])c1F ZINC000844087731 588165291 /nfs/dbraw/zinc/16/52/91/588165291.db2.gz WDGOAJSPJZDIIG-UHFFFAOYSA-N -2 3 231.198 1.742 20 0 BDADHL Cc1cc(=O)[n-]c(CSC[C@H](C)C(=O)[O-])n1 ZINC000700427554 602310594 /nfs/dbraw/zinc/31/05/94/602310594.db2.gz CBXQPFGKOMZYNM-LURJTMIESA-N -2 3 242.300 1.445 20 0 BDADHL C[C@@H](CC(=O)[O-])C(=O)Nc1cccc([O-])c1F ZINC000911431127 639646073 /nfs/dbraw/zinc/64/60/73/639646073.db2.gz KSRROQZEMDYADF-LURJTMIESA-N -2 3 241.218 1.581 20 0 BDADHL CC(C)O[N-]C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000911809284 639830797 /nfs/dbraw/zinc/83/07/97/639830797.db2.gz KTOCRMRBCWXTTI-UHFFFAOYSA-N -2 3 243.303 1.724 20 0 BDADHL C[C@H](OCCP(=O)([O-])[O-])c1nccs1 ZINC001224602747 964802562 /nfs/dbraw/zinc/80/25/62/964802562.db2.gz SZPIFYXXXBUDBG-LURJTMIESA-N -2 3 237.217 1.398 20 0 BDADHL C[C@@H](OCCP(=O)([O-])[O-])C1CCCC1 ZINC001224603152 973785417 /nfs/dbraw/zinc/78/54/17/973785417.db2.gz VSOQXLUIZOJKNY-MRVPVSSYSA-N -2 3 222.221 1.759 20 0 BDADHL C[C@H]1CC[C@@H](OCCP(=O)([O-])[O-])CC1 ZINC001224602074 973785499 /nfs/dbraw/zinc/78/54/99/973785499.db2.gz NTPOVFKMEUOHNV-DTORHVGOSA-N -2 3 222.221 1.759 20 0 BDADHL O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000085321945 957891865 /nfs/dbraw/zinc/89/18/65/957891865.db2.gz XGITXXGGDBWBII-WCBMZHEXSA-N -2 3 249.266 1.375 20 0 BDADHL Cc1cc([N-]c2nonc2N)ccc1C(=O)[O-] ZINC001211648298 960099602 /nfs/dbraw/zinc/09/96/02/960099602.db2.gz ZWCUVTFSEMVRMK-UHFFFAOYSA-N -2 3 234.215 1.402 20 0 BDADHL C[C@@H](Cc1ccccc1)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571282 963536401 /nfs/dbraw/zinc/53/64/01/963536401.db2.gz RPKBEZBIAJYNIJ-QMMMGPOBSA-N -2 3 247.254 1.293 20 0 BDADHL O=P([O-])([O-])CCO[C@@H]1CCCC[C@@H]1F ZINC001224603354 964798440 /nfs/dbraw/zinc/79/84/40/964798440.db2.gz XSFJIMULPGXYEY-JGVFFNPUSA-N -2 3 226.184 1.461 20 0 BDADHL CC1(C)CCC[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)C1 ZINC001227569965 975553134 /nfs/dbraw/zinc/55/31/34/975553134.db2.gz HPLDVOGVRTYHIT-ZETCQYMHSA-N -2 3 239.275 1.630 20 0 BDADHL CC(C)CCC[C@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569901 975553510 /nfs/dbraw/zinc/55/35/10/975553510.db2.gz GZRMCSNDECJPMD-QMMMGPOBSA-N -2 3 241.291 1.876 20 0 BDADHL CC(C)=CCC[C@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571344 975565103 /nfs/dbraw/zinc/56/51/03/975565103.db2.gz SDLUKPKHWXJECL-QMMMGPOBSA-N -2 3 239.275 1.797 20 0 BDADHL CC(C)[C@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233940542 978737949 /nfs/dbraw/zinc/73/79/49/978737949.db2.gz XQPVJUOBUJPKRX-LURJTMIESA-N -2 3 222.248 1.070 20 0 BDADHL CC1CCC(Oc2[n-]c(=O)nc3cn[n-]c32)CC1 ZINC001233939611 978738067 /nfs/dbraw/zinc/73/80/67/978738067.db2.gz LUNYZRRGNIQZJM-UHFFFAOYSA-N -2 3 248.286 1.604 20 0 BDADHL O=C([O-])[C@@H](OC(=O)c1ccc([O-])cc1)C1CC1 ZINC001602599441 979138880 /nfs/dbraw/zinc/13/88/80/979138880.db2.gz BGGBLWOPZCMMFJ-JTQLQIEISA-N -2 3 236.223 1.412 20 0 BDADHL O=C([O-])Cc1nccnc1-c1cc([O-])cc(F)c1 ZINC001241262756 982400423 /nfs/dbraw/zinc/40/04/23/982400423.db2.gz SKYGIYOAVPHRHF-UHFFFAOYSA-N -2 3 248.213 1.615 20 0 BDADHL CC[C@@H](C)CO[N-]C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001594965570 982722497 /nfs/dbraw/zinc/72/24/97/982722497.db2.gz XWAKIUSRUXVXLN-HUUUCTMMSA-N -2 3 241.287 1.335 20 0 BDADHL CC[C@H](Sc1ncc(C(=O)OC)[n-]1)C(=O)[O-] ZINC001589584155 982841393 /nfs/dbraw/zinc/84/13/93/982841393.db2.gz AGNJIZDARRICBF-LURJTMIESA-N -2 3 244.272 1.152 20 0 BDADHL C[C@@H](CC(=O)[O-])C(=O)[N-]Oc1ccc(F)cc1 ZINC001604095734 989870793 /nfs/dbraw/zinc/87/07/93/989870793.db2.gz ZRQCCNUIHYFZKQ-ZETCQYMHSA-N -2 3 241.218 1.347 20 0 BDADHL O=C([O-])c1cc([O-])c2c(O)cccc2c1 ZINC000013335469 342866124 /nfs/dbraw/zinc/86/61/24/342866124.db2.gz AQACEHKQPSVTNR-UHFFFAOYSA-N -2 3 204.181 1.949 20 0 BDADHL Cc1ccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c([O-])c1 ZINC000634816725 344407328 /nfs/dbraw/zinc/40/73/28/344407328.db2.gz ZHRJCCQCAPUOQF-JGVFFNPUSA-N -2 3 235.239 1.360 20 0 BDADHL C[C@H](CC(=O)N=c1ccc([O-])n[n-]1)c1ccco1 ZINC000637125866 350207012 /nfs/dbraw/zinc/20/70/12/350207012.db2.gz AVCIKHKOTDSIPJ-MRVPVSSYSA-N -2 3 247.254 1.329 20 0 BDADHL C[C@@H]1CC[C@H](C(=O)N=c2ccc([O-])n[n-]2)C[C@@H]1C ZINC000410717556 191146781 /nfs/dbraw/zinc/14/67/81/191146781.db2.gz JTBNICCMDDUXAC-UTLUCORTSA-N -2 3 249.314 1.615 20 0 BDADHL O=C([O-])[C@@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000022144470 360108271 /nfs/dbraw/zinc/10/82/71/360108271.db2.gz FCOSSZNBCBYISN-JTQLQIEISA-N -2 3 235.239 1.081 20 0 BDADHL CC(C)[C@H](C(=O)[O-])[S@@](=O)c1ccc([O-])cc1 ZINC000556712079 384460643 /nfs/dbraw/zinc/46/06/43/384460643.db2.gz RIMPKVJHCKCTAY-HWPZZCPQSA-N -2 3 242.296 1.609 20 0 BDADHL CC[C@@H](NC(=O)c1cccc(C)c1[O-])C(=O)[O-] ZINC000035409748 387365121 /nfs/dbraw/zinc/36/51/21/387365121.db2.gz AHHLDNHSHZBKKZ-SECBINFHSA-N -2 3 237.255 1.294 20 0 BDADHL CC[C@H]1CCCC[C@@H]1C(=O)N=c1ccc([O-])n[n-]1 ZINC000361881132 387549261 /nfs/dbraw/zinc/54/92/61/387549261.db2.gz RMTHBRVVQFORGD-UWVGGRQHSA-N -2 3 249.314 1.759 20 0 BDADHL O=C(Nc1ccccc1[O-])c1ncccc1[O-] ZINC000194649803 387887564 /nfs/dbraw/zinc/88/75/64/387887564.db2.gz ZZNKOYSTYPQULU-UHFFFAOYSA-N -2 3 230.223 1.745 20 0 BDADHL CCc1ccc([O-])c(C(=O)N(C)CC(=O)[O-])c1 ZINC000263562649 135360266 /nfs/dbraw/zinc/36/02/66/135360266.db2.gz CVLZLSCDZCSBAQ-UHFFFAOYSA-N -2 3 237.255 1.111 20 0 BDADHL C[C@H](CNCc1cccc([O-])c1Cl)C(=O)[O-] ZINC000656095414 411175919 /nfs/dbraw/zinc/17/59/19/411175919.db2.gz CVLJUKQLADSWKU-SSDOTTSWSA-N -2 3 243.690 1.856 20 0 BDADHL O=C([O-])[C@H](C(=O)Nc1ccccc1[O-])C1CC1 ZINC000663116184 412384708 /nfs/dbraw/zinc/38/47/08/412384708.db2.gz POPHGXVHIMOLPX-JTQLQIEISA-N -2 3 235.239 1.442 20 0 BDADHL O=C([O-])[C@@H](C(=O)Nc1ccccc1[O-])C1CC1 ZINC000663116186 412385289 /nfs/dbraw/zinc/38/52/89/412385289.db2.gz POPHGXVHIMOLPX-SNVBAGLBSA-N -2 3 235.239 1.442 20 0 BDADHL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccccc1[O-] ZINC000653318158 487714862 /nfs/dbraw/zinc/71/48/62/487714862.db2.gz YUQPWJHIPFDCRR-PSASIEDQSA-N -2 3 249.266 1.470 20 0 BDADHL O=C([O-])C1(CNC(=O)c2ccccc2[O-])CCC1 ZINC000138517616 488225781 /nfs/dbraw/zinc/22/57/81/488225781.db2.gz SAJKBMLOKYTVOJ-UHFFFAOYSA-N -2 3 249.266 1.377 20 0 BDADHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1ccccc1[O-] ZINC000901983741 584509450 /nfs/dbraw/zinc/50/94/50/584509450.db2.gz USIJJXXRFLVWFV-KRTXAFLBSA-N -2 3 235.239 1.442 20 0 BDADHL O=C([N-]Cc1ccc([O-])c(F)c1)C(F)(F)F ZINC000738553137 585047306 /nfs/dbraw/zinc/04/73/06/585047306.db2.gz ZGSCGLUNSFEWKY-UHFFFAOYSA-N -2 3 237.152 1.710 20 0 BDADHL CC(C)CO[N-]C(=O)Cc1cncc([O-])c1 ZINC000816953267 586773749 /nfs/dbraw/zinc/77/37/49/586773749.db2.gz CPCPPPDXPRDURD-UHFFFAOYSA-N -2 3 224.260 1.034 20 0 BDADHL C[C@H](CC(=O)[O-])C(=O)Nc1cc(F)ccc1[O-] ZINC000827310200 587376562 /nfs/dbraw/zinc/37/65/62/587376562.db2.gz GYESSWQITOICFM-ZCFIWIBFSA-N -2 3 241.218 1.581 20 0 BDADHL CO[N-]C(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000829060633 587481344 /nfs/dbraw/zinc/48/13/44/587481344.db2.gz AGFJTUYUUCBDRR-RKDXNWHRSA-N -2 3 244.291 1.271 20 0 BDADHL O=C([O-])Nc1ccc(NC(=O)c2nc[n-]n2)cc1 ZINC000833290403 587704706 /nfs/dbraw/zinc/70/47/06/587704706.db2.gz RZRFMQPWZUMEFH-UHFFFAOYSA-N -2 3 247.214 1.147 20 0 BDADHL O=C([O-])NCCCCC(=O)[N-]OC1CCCC1 ZINC000834234784 587749444 /nfs/dbraw/zinc/74/94/44/587749444.db2.gz WOABAJWQBHLICV-UHFFFAOYSA-N -2 3 244.291 1.415 20 0 BDADHL O=C([O-])C1(C(=O)Nc2cccc([O-])c2F)CC1 ZINC000911430715 639645670 /nfs/dbraw/zinc/64/56/70/639645670.db2.gz FYQGLNKVHVTTEF-UHFFFAOYSA-N -2 3 239.202 1.335 20 0 BDADHL O=C([O-])CCCC(=O)[N-]OC1CCCCC1 ZINC000911807143 639827059 /nfs/dbraw/zinc/82/70/59/639827059.db2.gz XWFUGCPFFHLBGB-UHFFFAOYSA-N -2 3 229.276 1.622 20 0 BDADHL CC1(C)C[C@H](OCCP(=O)([O-])[O-])CCO1 ZINC001224602729 964802902 /nfs/dbraw/zinc/80/29/02/964802902.db2.gz SUFDPZDRALVGFX-MRVPVSSYSA-N -2 3 238.220 1.138 20 0 BDADHL CC[C@@H](C)CO[N-]C(=O)CCCCC(=O)[O-] ZINC001589456576 982805875 /nfs/dbraw/zinc/80/58/75/982805875.db2.gz OADKKSRAEWNTKD-SECBINFHSA-N -2 3 231.292 1.725 20 0 BDADHL C[C@H](OCCP(=O)([O-])[O-])c1ccncc1F ZINC001224601731 973787676 /nfs/dbraw/zinc/78/76/76/973787676.db2.gz KEXATQVDLIOFLZ-ZETCQYMHSA-N -2 3 249.178 1.476 20 0 BDADHL CC(C)C(OCCP(=O)([O-])[O-])C(C)C ZINC001224603614 973795205 /nfs/dbraw/zinc/79/52/05/973795205.db2.gz ANRKMPOSSWUCHJ-UHFFFAOYSA-N -2 3 224.237 1.861 20 0 BDADHL COC1CCC(OCCP(=O)([O-])[O-])CC1 ZINC001224603640 973793212 /nfs/dbraw/zinc/79/32/12/973793212.db2.gz AUVABTQUNGOCKR-UHFFFAOYSA-N -2 3 238.220 1.138 20 0 BDADHL O=P([O-])([O-])CCCCOC1CC(F)(F)C1 ZINC001225022716 974149583 /nfs/dbraw/zinc/14/95/83/974149583.db2.gz QROJKUZZPRETDT-UHFFFAOYSA-N -2 3 244.174 1.759 20 0 BDADHL O=C([O-])CCCC(=O)[N-]OCCC(F)(F)F ZINC000315277211 972226534 /nfs/dbraw/zinc/22/65/34/972226534.db2.gz VJJFTTGHFAIVNT-UHFFFAOYSA-N -2 3 243.181 1.242 20 0 BDADHL C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccccc1[O-] ZINC000092914468 958178671 /nfs/dbraw/zinc/17/86/71/958178671.db2.gz NQTCNLRVGMGIFI-RKDXNWHRSA-N -2 3 249.266 1.327 20 0 BDADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccccc1[O-] ZINC000092914473 958178755 /nfs/dbraw/zinc/17/87/55/958178755.db2.gz NQTCNLRVGMGIFI-BDAKNGLRSA-N -2 3 249.266 1.327 20 0 BDADHL CC[C@H](C)CC[C@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227570391 963536555 /nfs/dbraw/zinc/53/65/55/963536555.db2.gz JLLGSIAQVHARMO-YUMQZZPRSA-N -2 3 241.291 1.876 20 0 BDADHL C[C@H]1CCC[C@@H](OCCP(=O)([O-])[O-])C1 ZINC001224605748 964800321 /nfs/dbraw/zinc/80/03/21/964800321.db2.gz JTIKWCZYZAVHDF-DTWKUNHWSA-N -2 3 222.221 1.759 20 0 BDADHL O=P([O-])([O-])CCO[C@@H]1CCc2ccccc21 ZINC001224601637 964801628 /nfs/dbraw/zinc/80/16/28/964801628.db2.gz IYLXAAQXNPVHBC-LLVKDONJSA-N -2 3 242.211 1.868 20 0 BDADHL CC(C)(C)O[N-]C(=O)CCCC(=O)[O-] ZINC000134474713 967639162 /nfs/dbraw/zinc/63/91/62/967639162.db2.gz UJXJCHJSXKOGAU-UHFFFAOYSA-N -2 3 203.238 1.088 20 0 BDADHL Cc1nonc1[N-]c1cccc(C(=O)[O-])c1F ZINC001210239123 969841132 /nfs/dbraw/zinc/84/11/32/969841132.db2.gz KGIJOXUQQZRJIS-UHFFFAOYSA-N -2 3 237.190 1.959 20 0 BDADHL O=C([O-])c1cccc(Nc2cnc[n-]c2=O)c1F ZINC001210239382 969841402 /nfs/dbraw/zinc/84/14/02/969841402.db2.gz WKIQZVSXULMQKN-UHFFFAOYSA-N -2 3 249.201 1.763 20 0 BDADHL CC[C@@H](COCCCCP(=O)([O-])[O-])OC ZINC001225018844 974152364 /nfs/dbraw/zinc/15/23/64/974152364.db2.gz JBBNANYKQXUYCZ-VIFPVBQESA-N -2 3 240.236 1.386 20 0 BDADHL C[C@@H]1CCC[C@@H](Oc2nc(=O)[n-]c(=O)[n-]2)[C@@H]1C ZINC001227569483 975554752 /nfs/dbraw/zinc/55/47/52/975554752.db2.gz BXZJHTALXVPVFI-BWZBUEFSSA-N -2 3 239.275 1.486 20 0 BDADHL C[C@@H]1CC[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)C[C@@H]1C ZINC001227571391 975563847 /nfs/dbraw/zinc/56/38/47/975563847.db2.gz SZZNNMVFBNVZOT-CSMHCCOUSA-N -2 3 239.275 1.486 20 0 BDADHL O=C([O-])Cc1ccc(Nc2cnc[n-]c2=O)cc1 ZINC001174952072 977184405 /nfs/dbraw/zinc/18/44/05/977184405.db2.gz QPADRGSNKHKWQC-UHFFFAOYSA-N -2 3 245.238 1.553 20 0 BDADHL C[C@@H](C(=O)[O-])C(=O)Nc1cccc([O-])c1F ZINC001602806577 979253565 /nfs/dbraw/zinc/25/35/65/979253565.db2.gz OBWGMBGIFBDFEV-RXMQYKEDSA-N -2 3 227.191 1.191 20 0 BDADHL C[C@H](C(=O)[O-])c1noc(-c2ccccc2[O-])n1 ZINC001602823842 979276334 /nfs/dbraw/zinc/27/63/34/979276334.db2.gz OIKUHSYSJARCJH-LURJTMIESA-N -2 3 234.211 1.630 20 0 BDADHL C[C@@H](C(=O)[O-])c1noc(-c2ccccc2[O-])n1 ZINC001602823844 979278798 /nfs/dbraw/zinc/27/87/98/979278798.db2.gz OIKUHSYSJARCJH-ZCFIWIBFSA-N -2 3 234.211 1.630 20 0 BDADHL O=C([O-])[C@H](CF)NCc1cccc([O-])c1Cl ZINC001608535754 980222949 /nfs/dbraw/zinc/22/29/49/980222949.db2.gz ZFTJTITXHCAPED-ZETCQYMHSA-N -2 3 247.653 1.558 20 0 BDADHL Cc1ccc(-c2ccc(C(=O)[O-])nn2)c([O-])c1 ZINC001241036441 982138780 /nfs/dbraw/zinc/13/87/80/982138780.db2.gz YCCFEMLICOUCCC-UHFFFAOYSA-N -2 3 230.223 1.856 20 0 BDADHL O=S(=O)(NC1=CC=C[CH]1)c1ccc([O-])cc1 ZINC001195827825 982362226 /nfs/dbraw/zinc/36/22/26/982362226.db2.gz ABTNATXUAVMVBN-UHFFFAOYSA-N -2 3 236.272 1.328 20 0 BDADHL CC(C)(CC(=O)[O-])CC(=O)[N-]OC/C=C/Cl ZINC001590635584 990324215 /nfs/dbraw/zinc/32/42/15/990324215.db2.gz ZFLXONZSXCGCIA-ONEGZZNKSA-N -2 3 249.694 1.678 20 0 BDADHL CN(CCC(=O)[O-])Cc1ccc([O-])c(F)c1F ZINC001574005004 992791507 /nfs/dbraw/zinc/79/15/07/992791507.db2.gz UMPWWZIZVNNGIP-UHFFFAOYSA-N -2 3 245.225 1.577 20 0 BDADHL Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000062117596 178393493 /nfs/dbraw/zinc/39/34/93/178393493.db2.gz QUTGDVCQJGPSBK-SECBINFHSA-N -2 3 249.266 1.247 20 0 BDADHL O=C(N=c1ccc([O-])n[n-]1)C1CCC=CCC1 ZINC000637128213 350210005 /nfs/dbraw/zinc/21/00/05/350210005.db2.gz MLFWJKGYWIEFFL-UHFFFAOYSA-N -2 3 233.271 1.289 20 0 BDADHL CC[C@H](CC(F)F)C(=O)N=c1ccc([O-])n[n-]1 ZINC000410720434 191146983 /nfs/dbraw/zinc/14/69/83/191146983.db2.gz RYKCMOBNDDUZPU-ZCFIWIBFSA-N -2 3 245.229 1.224 20 0 BDADHL O=C([O-])CCCNCc1c(F)ccc([O-])c1F ZINC000584782253 358177094 /nfs/dbraw/zinc/17/70/94/358177094.db2.gz OJSRAJJNNUBQLS-UHFFFAOYSA-N -2 3 245.225 1.625 20 0 BDADHL CC[C@@H](NC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000035409738 383854785 /nfs/dbraw/zinc/85/47/85/383854785.db2.gz PDQAOYDZLPPLIB-SECBINFHSA-N -2 3 237.255 1.294 20 0 BDADHL Cc1ccc([O-])c(C(=O)N(C)[C@H](C)C(=O)[O-])c1 ZINC000054051013 384818517 /nfs/dbraw/zinc/81/85/17/384818517.db2.gz RFUMBNLIHXFPMA-MRVPVSSYSA-N -2 3 237.255 1.246 20 0 BDADHL Cc1ccc(C(=O)N[C@@H](C(=O)[O-])C2CC2)c([O-])c1 ZINC000054500459 384841230 /nfs/dbraw/zinc/84/12/30/384841230.db2.gz OYWHJDCRDIXZAI-LLVKDONJSA-N -2 3 249.266 1.294 20 0 BDADHL CC(C)c1ccc(C(=O)Nc2nnn[n-]2)c([O-])c1 ZINC000271297664 385815101 /nfs/dbraw/zinc/81/51/01/385815101.db2.gz QHGIPCXWXHAUSS-UHFFFAOYSA-N -2 3 247.258 1.281 20 0 BDADHL CC(C)c1ccc(C(=O)Nc2nn[n-]n2)c([O-])c1 ZINC000271297664 385815105 /nfs/dbraw/zinc/81/51/05/385815105.db2.gz QHGIPCXWXHAUSS-UHFFFAOYSA-N -2 3 247.258 1.281 20 0 BDADHL CN(CCCC(=O)[O-])C(=O)c1ccccc1[O-] ZINC000036925027 387872404 /nfs/dbraw/zinc/87/24/04/387872404.db2.gz IQYXKGOJLCDXBD-UHFFFAOYSA-N -2 3 237.255 1.329 20 0 BDADHL O=C(Nc1ncccc1[O-])c1cccc([O-])c1 ZINC000082260034 388019078 /nfs/dbraw/zinc/01/90/78/388019078.db2.gz RMILYZCDMDMREV-UHFFFAOYSA-N -2 3 230.223 1.745 20 0 BDADHL CC[C@H](C(=O)[O-])N(C)C(=O)c1ccccc1[O-] ZINC000044611511 487596286 /nfs/dbraw/zinc/59/62/86/487596286.db2.gz UKPMZQGKCXHVNG-SECBINFHSA-N -2 3 237.255 1.327 20 0 BDADHL O=C(Nc1ncccc1[O-])c1ccc([O-])c(F)c1 ZINC000681069200 487710786 /nfs/dbraw/zinc/71/07/86/487710786.db2.gz VIIQZWZYXPCIOF-UHFFFAOYSA-N -2 3 248.213 1.884 20 0 BDADHL O=C([O-])c1cnc(C=Cc2cncs2)[n-]c1=O ZINC000670370029 488106778 /nfs/dbraw/zinc/10/67/78/488106778.db2.gz RSONRMPEZLDCBA-OWOJBTEDSA-N -2 3 249.251 1.507 20 0 BDADHL O=C([O-])c1cnc(C=Cc2cncs2)[n-]c1=O ZINC000670370030 488106999 /nfs/dbraw/zinc/10/69/99/488106999.db2.gz RSONRMPEZLDCBA-UPHRSURJSA-N -2 3 249.251 1.507 20 0 BDADHL CN(Cc1nc(-c2ccc([O-])cc2)no1)C(=O)[O-] ZINC000737496726 585033432 /nfs/dbraw/zinc/03/34/32/585033432.db2.gz HMKSIGQNLOOMQA-UHFFFAOYSA-N -2 3 249.226 1.552 20 0 BDADHL C[C@H](CC(=O)Nc1ccccc1[O-])NC(=O)[O-] ZINC000824703813 587283683 /nfs/dbraw/zinc/28/36/83/587283683.db2.gz RYOVAAUNDYBRDH-SSDOTTSWSA-N -2 3 238.243 1.377 20 0 BDADHL CC[C@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871992731 589854700 /nfs/dbraw/zinc/85/47/00/589854700.db2.gz COWJVFLKSDUFNX-LURJTMIESA-N -2 3 247.272 1.055 20 0 BDADHL O=C([O-])CCCCCC[N-]C(=O)C(F)(F)F ZINC000032911465 599738067 /nfs/dbraw/zinc/73/80/67/599738067.db2.gz VRLZUIHNCVRFHZ-UHFFFAOYSA-N -2 3 241.209 1.700 20 0 BDADHL CCO[N-]C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000083099225 643528597 /nfs/dbraw/zinc/52/85/97/643528597.db2.gz WBFHLTAKAQXTST-UHFFFAOYSA-N -2 3 229.276 1.479 20 0 BDADHL O=C([O-])CC1(C(=O)[N-]OCCC2CC2)CCC1 ZINC001594976756 977899480 /nfs/dbraw/zinc/89/94/80/977899480.db2.gz LJAJXJKEHKERPH-UHFFFAOYSA-N -2 3 241.287 1.479 20 0 BDADHL C[C@@H](CC(=O)[O-])C(=O)[N-]Oc1ccccc1 ZINC001604094571 979572827 /nfs/dbraw/zinc/57/28/27/979572827.db2.gz AOWNGAUKLFGFQP-QMMMGPOBSA-N -2 3 223.228 1.207 20 0 BDADHL C[C@@H](COC(C)(C)C)OCCP(=O)([O-])[O-] ZINC001224607602 973791164 /nfs/dbraw/zinc/79/11/64/973791164.db2.gz ZIYNNTFLOGWUCC-QMMMGPOBSA-N -2 3 240.236 1.384 20 0 BDADHL C[C@@H](OCCP(=O)([O-])[O-])c1ccncc1 ZINC001224608011 973791960 /nfs/dbraw/zinc/79/19/60/973791960.db2.gz XUOWAZIIWCBYHE-MRVPVSSYSA-N -2 3 231.188 1.337 20 0 BDADHL O=P([O-])([O-])CCCCO[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001225018878 974150143 /nfs/dbraw/zinc/15/01/43/974150143.db2.gz KPGHGNROGHSXOV-HBNTYKKESA-N -2 3 246.243 1.926 20 0 BDADHL C/C=C/C=C/C(=O)NCCCCP(=O)([O-])[O-] ZINC001144005229 972455029 /nfs/dbraw/zinc/45/50/29/972455029.db2.gz SIXQJTYVOJISJJ-AOGGBPEJSA-N -2 3 247.231 1.193 20 0 BDADHL CC(C)/C=C/C(=O)NCCCCP(=O)([O-])[O-] ZINC001142664344 961564442 /nfs/dbraw/zinc/56/44/42/961564442.db2.gz ODVRMYCBGANKKI-AATRIKPKSA-N -2 3 249.247 1.273 20 0 BDADHL CC[C@@H](C)[C@@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569862 963538023 /nfs/dbraw/zinc/53/80/23/963538023.db2.gz GSCGTADEKLIVPT-PHDIDXHHSA-N -2 3 213.237 1.096 20 0 BDADHL C[C@@H]1CC[C@H](C)[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)C1 ZINC001227569318 963538217 /nfs/dbraw/zinc/53/82/17/963538217.db2.gz ZGDRBIGQPPEOAK-GJMOJQLCSA-N -2 3 239.275 1.486 20 0 BDADHL O=P([O-])([O-])CCO[C@H]1CCc2cccnc21 ZINC001224606256 964801485 /nfs/dbraw/zinc/80/14/85/964801485.db2.gz NGGRLYBXRJOJDU-VIFPVBQESA-N -2 3 243.199 1.263 20 0 BDADHL C[C@@H]1CCC[C@H](OCCP(=O)([O-])[O-])C1 ZINC001224601700 973788817 /nfs/dbraw/zinc/78/88/17/973788817.db2.gz JTIKWCZYZAVHDF-BDAKNGLRSA-N -2 3 222.221 1.759 20 0 BDADHL CC(C)OCCOCCCCP(=O)([O-])[O-] ZINC001225022457 974148867 /nfs/dbraw/zinc/14/88/67/974148867.db2.gz PHMHYRKWKHCYKQ-UHFFFAOYSA-N -2 3 240.236 1.386 20 0 BDADHL CC1(C)CCC(Oc2nc(=O)[n-]c(=O)[n-]2)CC1 ZINC001227569239 975552618 /nfs/dbraw/zinc/55/26/18/975552618.db2.gz WFEJEZAPULDQOZ-UHFFFAOYSA-N -2 3 239.275 1.630 20 0 BDADHL C[C@@H]1CCC[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)[C@H]1C ZINC001227569485 975558762 /nfs/dbraw/zinc/55/87/62/975558762.db2.gz BXZJHTALXVPVFI-CSMHCCOUSA-N -2 3 239.275 1.486 20 0 BDADHL CC[C@@H](Oc1nc(=O)[n-]c(=O)[n-]1)C(C)(C)C ZINC001227570616 975562139 /nfs/dbraw/zinc/56/21/39/975562139.db2.gz MDYVLFZCPDKKQY-ZCFIWIBFSA-N -2 3 227.264 1.486 20 0 BDADHL CC[C@@H](C)C[C@H](CC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571487 975566005 /nfs/dbraw/zinc/56/60/05/975566005.db2.gz UUMZNZHTKLVUND-SFYZADRCSA-N -2 3 241.291 1.876 20 0 BDADHL Cc1nc(Nc2cncc(C(=O)[O-])c2)cc(=O)[n-]1 ZINC001175839486 977757853 /nfs/dbraw/zinc/75/78/53/977757853.db2.gz UWQLMZFQLSIRIH-UHFFFAOYSA-N -2 3 246.226 1.327 20 0 BDADHL Cn1cnc([N-]c2c(F)cc(F)c([O-])c2F)n1 ZINC001176662542 978155835 /nfs/dbraw/zinc/15/58/35/978155835.db2.gz QAXUDFCPDVIUHI-UHFFFAOYSA-N -2 3 244.176 1.682 20 0 BDADHL Cc1ncc(Nc2ccc(C(=O)[O-])cc2)c(=O)[n-]1 ZINC001176710367 978175174 /nfs/dbraw/zinc/17/51/74/978175174.db2.gz GXVHRUXWYGCZNE-UHFFFAOYSA-N -2 3 245.238 1.932 20 0 BDADHL CCC(CC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233935623 978735685 /nfs/dbraw/zinc/73/56/85/978735685.db2.gz ULLRBUBUTGOOBJ-UHFFFAOYSA-N -2 3 222.248 1.214 20 0 BDADHL CCC[C@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233934392 978736830 /nfs/dbraw/zinc/73/68/30/978736830.db2.gz KXIFMJMFSJISJT-LURJTMIESA-N -2 3 222.248 1.214 20 0 BDADHL CCc1ccc(C(=O)N[C@@H](C)C(=O)[O-])c([O-])c1 ZINC001593635357 983324782 /nfs/dbraw/zinc/32/47/82/983324782.db2.gz NENJNEXKFYBJCN-ZETCQYMHSA-N -2 3 237.255 1.158 20 0 BDADHL CCc1ccc(C(=O)N2CC[C@H]2C(=O)[O-])c([O-])c1 ZINC001597499058 988050335 /nfs/dbraw/zinc/05/03/35/988050335.db2.gz XEYPQHPQVBVVMC-JTQLQIEISA-N -2 3 249.266 1.254 20 0 BDADHL CC(C)(CC(=O)[N-]OCCCC(=O)[O-])C1CC1 ZINC001590621980 990306062 /nfs/dbraw/zinc/30/60/62/990306062.db2.gz YFWNECLATBWHLG-UHFFFAOYSA-N -2 3 243.303 1.725 20 0 BDADHL Cc1noc(C)c1S(=O)(=O)[N-]C1=CC=C[CH]1 ZINC001258762007 991716420 /nfs/dbraw/zinc/71/64/20/991716420.db2.gz MUGJOVOKDUFBHQ-UHFFFAOYSA-N -2 3 239.276 1.228 20 0 BDADHL CC1(CC(=O)[N-]OCCCC(=O)[O-])CC1 ZINC001593998340 997325220 /nfs/dbraw/zinc/32/52/20/997325220.db2.gz XBTTZSTUHJBSAU-UHFFFAOYSA-N -2 3 215.249 1.089 20 0 BDADHL Cc1ccc(C(=O)N(C)CCC(=O)[O-])c([O-])c1 ZINC000037931413 178376244 /nfs/dbraw/zinc/37/62/44/178376244.db2.gz SIZNMFFWTRDZLO-UHFFFAOYSA-N -2 3 237.255 1.247 20 0 BDADHL CC1=CC[C@@](C)(C(=O)N=c2ccc([O-])n[n-]2)CC1 ZINC000622846377 344420795 /nfs/dbraw/zinc/42/07/95/344420795.db2.gz IVLBMRWUKQDFMU-CYBMUJFWSA-N -2 3 247.298 1.679 20 0 BDADHL CC[C@H](C(=O)[O-])[S@@](=O)c1ccc([O-])cc1 ZINC000059739197 368532986 /nfs/dbraw/zinc/53/29/86/368532986.db2.gz QVUWRVYHRHKQQX-RFAUZJTJSA-N -2 3 228.269 1.363 20 0 BDADHL CCN(C)S(=O)(=O)[N-]c1cc(F)ccc1[O-] ZINC000268292696 386640028 /nfs/dbraw/zinc/64/00/28/386640028.db2.gz VLXMWELNKMTGRG-UHFFFAOYSA-N -2 3 248.279 1.140 20 0 BDADHL O=C([N-]c1nc[nH]n1)c1c(F)ccc([O-])c1F ZINC000438773443 387956297 /nfs/dbraw/zinc/95/62/97/387956297.db2.gz SHQAOBYFUAKGPE-UHFFFAOYSA-N -2 3 240.169 1.041 20 0 BDADHL CCN(C(=O)c1ccccc1[O-])[C@H](C)C(=O)[O-] ZINC000659773743 411453148 /nfs/dbraw/zinc/45/31/48/411453148.db2.gz UWRPABPXNZHYRV-MRVPVSSYSA-N -2 3 237.255 1.327 20 0 BDADHL Cc1cc(NC(=O)c2nc[n-]n2)ccc1C(=O)[O-] ZINC000110986777 588714643 /nfs/dbraw/zinc/71/46/43/588714643.db2.gz UVXUFKHKZVTAPO-UHFFFAOYSA-N -2 3 246.226 1.064 20 0 BDADHL CCCCCC(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC000898751621 584157272 /nfs/dbraw/zinc/15/72/72/584157272.db2.gz NLKOLRSASAFZSJ-UHFFFAOYSA-N -2 3 239.275 1.084 20 0 BDADHL C[C@@H](CC(=O)[O-])C(=O)Nc1cc(F)ccc1[O-] ZINC000827310198 587376701 /nfs/dbraw/zinc/37/67/01/587376701.db2.gz GYESSWQITOICFM-LURJTMIESA-N -2 3 241.218 1.581 20 0 BDADHL Cc1cc(=O)[n-]c([C@@H](C)SCC(=O)[O-])n1 ZINC000832899886 587694669 /nfs/dbraw/zinc/69/46/69/587694669.db2.gz TXFRZANIQJBOCN-ZCFIWIBFSA-N -2 3 228.273 1.369 20 0 BDADHL CC(C)CO[N-]C(=O)CCCN(C)C(=O)[O-] ZINC000833489487 587717372 /nfs/dbraw/zinc/71/73/72/587717372.db2.gz YFVMJPARRFESIT-UHFFFAOYSA-N -2 3 232.280 1.080 20 0 BDADHL O=C(Cc1cncc([O-])c1)[N-]OC1CCCC1 ZINC000848373039 588374176 /nfs/dbraw/zinc/37/41/76/588374176.db2.gz MAYJORYLJZZGGP-UHFFFAOYSA-N -2 3 236.271 1.320 20 0 BDADHL O=Cc1ccc(-c2ncc(C(=O)[O-])cc2[O-])cc1 ZINC000874970374 590158054 /nfs/dbraw/zinc/15/80/54/590158054.db2.gz OZSBSTYEQPRSJN-UHFFFAOYSA-N -2 3 243.218 1.965 20 0 BDADHL C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000143984442 597494039 /nfs/dbraw/zinc/49/40/39/597494039.db2.gz TZIOBDNPCHBWRF-LURJTMIESA-N -2 3 210.185 1.022 20 0 BDADHL CCCO[N-]C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000314590981 635209824 /nfs/dbraw/zinc/20/98/24/635209824.db2.gz SMRMWPZWPZNKGG-UHFFFAOYSA-N -2 3 243.303 1.869 20 0 BDADHL O=C([O-])c1ccc(CC(=O)[N-]OC2CCC2)cc1 ZINC000911815132 639803869 /nfs/dbraw/zinc/80/38/69/639803869.db2.gz TYXSZHCJSZMMBB-UHFFFAOYSA-N -2 3 249.266 1.528 20 0 BDADHL CC1CCC(OCCP(=O)([O-])[O-])CC1 ZINC001224606297 964802081 /nfs/dbraw/zinc/80/20/81/964802081.db2.gz NTPOVFKMEUOHNV-UHFFFAOYSA-N -2 3 222.221 1.759 20 0 BDADHL C[C@@H](Cc1ccco1)OCCP(=O)([O-])[O-] ZINC001224601314 964802332 /nfs/dbraw/zinc/80/23/32/964802332.db2.gz GFXYMDDGJRQXIU-QMMMGPOBSA-N -2 3 234.188 1.405 20 0 BDADHL C[C@@H](Oc1nc(=O)[n-]c(=O)[n-]1)C1CCCC1 ZINC001227571331 975560399 /nfs/dbraw/zinc/56/03/99/975560399.db2.gz RUDCUSDEENROMW-ZCFIWIBFSA-N -2 3 225.248 1.240 20 0 BDADHL CC[C@@H](Sc1ncc(C(=O)OC)[n-]1)C(=O)[O-] ZINC001589584157 982841891 /nfs/dbraw/zinc/84/18/91/982841891.db2.gz AGNJIZDARRICBF-ZCFIWIBFSA-N -2 3 244.272 1.152 20 0 BDADHL O=P([O-])([O-])CCO[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001224603149 973789175 /nfs/dbraw/zinc/78/91/75/973789175.db2.gz VRWREIGBBSMCEU-HRDYMLBCSA-N -2 3 220.205 1.369 20 0 BDADHL C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccccc1[O-] ZINC000092914472 958178810 /nfs/dbraw/zinc/17/88/10/958178810.db2.gz NQTCNLRVGMGIFI-DTWKUNHWSA-N -2 3 249.266 1.327 20 0 BDADHL CC(C)CS(=O)(=O)[N-]c1cccc(F)c1[O-] ZINC000707901993 958808146 /nfs/dbraw/zinc/80/81/46/958808146.db2.gz DLYUODWSOQKVBX-UHFFFAOYSA-N -2 3 247.291 1.929 20 0 BDADHL CCCS(=O)(=O)[N-]c1cccc(F)c1[O-] ZINC000707902076 958808824 /nfs/dbraw/zinc/80/88/24/958808824.db2.gz DTABLDRADNFUQR-UHFFFAOYSA-N -2 3 233.264 1.683 20 0 BDADHL C[C@H](OCCP(=O)([O-])[O-])C1=CC=C[CH]1 ZINC001224603525 964797970 /nfs/dbraw/zinc/79/79/70/964797970.db2.gz ZNFFDAMRHBBJHN-QMMMGPOBSA-N -3 3 217.181 1.270 20 0 BDADHL O=C([N-]OCC1CC1)c1cnc(C2CC2)[n-]c1=O ZINC000828197280 968770335 /nfs/dbraw/zinc/77/03/35/968770335.db2.gz CONJJRQEPVEXBD-UHFFFAOYSA-N -2 3 249.270 1.131 20 0 BDADHL CC(C)(C)O[N-]C(=O)C(=O)c1ccc([O-])cc1 ZINC001329124591 973496632 /nfs/dbraw/zinc/49/66/32/973496632.db2.gz CDBJKFPGFMCBLA-UHFFFAOYSA-N -2 3 237.255 1.421 20 0 BDADHL CC[C@H](C)[C@H](C)OCCP(=O)([O-])[O-] ZINC001224600889 973786330 /nfs/dbraw/zinc/78/63/30/973786330.db2.gz BLPUNHFIBJPSRL-YUMQZZPRSA-N -2 3 210.210 1.615 20 0 BDADHL C[C@@H]1CC[C@@H](OCCP(=O)([O-])[O-])C1 ZINC001224605289 973793757 /nfs/dbraw/zinc/79/37/57/973793757.db2.gz HIYACMVWJLYBRB-HTQZYQBOSA-N -2 3 208.194 1.369 20 0 BDADHL O=P([O-])([O-])CCCCOC[C@H]1CCCO1 ZINC001225022028 974148626 /nfs/dbraw/zinc/14/86/26/974148626.db2.gz LRHKBCKXZNGAJV-SECBINFHSA-N -2 3 238.220 1.140 20 0 BDADHL C[C@H]1CC[C@@H](Oc2nc(=O)[n-]c(=O)[n-]2)CC1 ZINC001227569699 975554130 /nfs/dbraw/zinc/55/41/30/975554130.db2.gz FCZHAQQJLSRPPL-KNVOCYPGSA-N -2 3 225.248 1.240 20 0 BDADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)C1=CC=C[CH]1 ZINC001233940226 978737279 /nfs/dbraw/zinc/73/72/79/978737279.db2.gz TYESSXLYRLPBFL-ZETCQYMHSA-N -3 3 243.246 1.114 20 0 BDADHL O=C([O-])C12CC(C(=O)[N-]OC/C=C\Cl)(C1)C2 ZINC001601728726 978840619 /nfs/dbraw/zinc/84/06/19/978840619.db2.gz NOASBMGQPDKVKZ-UPHRSURJSA-N -2 3 245.662 1.042 20 0 BDADHL CC(C)CCCC(=O)[N-]OCCCC(=O)[O-] 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BDADHL C[C@@H](Oc1cc(=O)[n-]cn1)C1=CC=C[CH]1 ZINC001226945081 975172662 /nfs/dbraw/zinc/17/26/62/975172662.db2.gz OUXVPFBHFHWPNP-MRVPVSSYSA-N -2 3 203.221 1.650 20 0 BDADHL CCCC[C@@H](CC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569344 975552863 /nfs/dbraw/zinc/55/28/63/975552863.db2.gz ZTDOBQQKMPKZNU-SSDOTTSWSA-N -2 3 227.264 1.630 20 0 BDADHL CC1(C)[C@@H]2C[C@@H](Oc3nc(=O)[n-]c(=O)[n-]3)C[C@@H]21 ZINC001227571201 975565607 /nfs/dbraw/zinc/56/56/07/975565607.db2.gz QUELRZGXFHGEFX-POBXSPIYSA-N -2 3 237.259 1.096 20 0 BDADHL C[C@H](C(=O)[O-])C(=O)Nc1cccc([O-])c1F ZINC001602806578 979256826 /nfs/dbraw/zinc/25/68/26/979256826.db2.gz OBWGMBGIFBDFEV-YFKPBYRVSA-N -2 3 227.191 1.191 20 0 BDADHL CCCC1(C(=O)[N-]OCCCC(=O)[O-])CCC1 ZINC001605221467 979840293 /nfs/dbraw/zinc/84/02/93/979840293.db2.gz UTHJNOBCOKZALH-UHFFFAOYSA-N -2 3 243.303 1.869 20 0 BDADHL O=C(Nc1ccccc1[S-])c1cnn[n-]1 ZINC001189349165 980779607 /nfs/dbraw/zinc/77/96/07/980779607.db2.gz QSVIDNGUVLSCQI-UHFFFAOYSA-N -2 3 220.257 1.346 20 0 BDADHL O=C(Nc1ccccc1[S-])c1c[n-]nn1 ZINC001189349165 980779611 /nfs/dbraw/zinc/77/96/11/980779611.db2.gz QSVIDNGUVLSCQI-UHFFFAOYSA-N -2 3 220.257 1.346 20 0 BDADHL O=C(Nc1ccccc1[S-])c1cn[n-]n1 ZINC001189349165 980779616 /nfs/dbraw/zinc/77/96/16/980779616.db2.gz QSVIDNGUVLSCQI-UHFFFAOYSA-N -2 3 220.257 1.346 20 0 BDADHL [CH2]CC[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196267887 982423925 /nfs/dbraw/zinc/42/39/25/982423925.db2.gz ZYLWXOAHLMFHJI-UHFFFAOYSA-N -2 3 233.700 1.237 20 0 BDADHL CC[C@@H](C)CO[N-]C(=O)[C@@H](C)CC(=O)[O-] ZINC001594964086 982716357 /nfs/dbraw/zinc/71/63/57/982716357.db2.gz CVGLAHGFCHNLBR-SFYZADRCSA-N -2 3 217.265 1.191 20 0 BDADHL CC[C@H](C)CO[N-]C(=O)[C@H](C)CC(=O)[O-] ZINC001594964084 982716830 /nfs/dbraw/zinc/71/68/30/982716830.db2.gz CVGLAHGFCHNLBR-JGVFFNPUSA-N -2 3 217.265 1.191 20 0 BDADHL CCc1ccc(C(=O)N(C)CC(=O)[O-])c([O-])c1 ZINC001593633664 983325343 /nfs/dbraw/zinc/32/53/43/983325343.db2.gz NDBDWWYYMBIBII-UHFFFAOYSA-N -2 3 237.255 1.111 20 0 BDADHL O=C([O-])c1cccc(C(=O)[O-])c1C1=CNCCC1 ZINC001243948765 985630778 /nfs/dbraw/zinc/63/07/78/985630778.db2.gz AXQLCWWNKCDMHN-UHFFFAOYSA-N -2 3 247.250 1.807 20 0 BDADHL CC1=C(C)C[C@H](C(=O)N=c2ccc([O-])n[n-]2)CC1 ZINC000576586509 365632342 /nfs/dbraw/zinc/63/23/42/365632342.db2.gz YITURNBFLHOHAU-SNVBAGLBSA-N -2 3 247.298 1.679 20 0 BDADHL Cc1ccc(C(=O)N(C)[C@H](C)C(=O)[O-])c([O-])c1 ZINC000054051175 178379098 /nfs/dbraw/zinc/37/90/98/178379098.db2.gz XUQJFXZXHCQKAB-MRVPVSSYSA-N -2 3 237.255 1.246 20 0 BDADHL Cc1ccc([O-])c(C(=O)N[C@@H](C)CC(=O)[O-])c1 ZINC000035898494 262848781 /nfs/dbraw/zinc/84/87/81/262848781.db2.gz AGWSBHMJBKSYSS-QMMMGPOBSA-N -2 3 237.255 1.294 20 0 BDADHL C[C@H](Cc1ccco1)C(=O)N=c1ccc([O-])n[n-]1 ZINC000622846671 344419784 /nfs/dbraw/zinc/41/97/84/344419784.db2.gz UHKVGLDYPSRYOE-MRVPVSSYSA-N -2 3 247.254 1.014 20 0 BDADHL Cc1cccc([O-])c1[N-]S(=O)(=O)C(F)F ZINC000038052646 179162008 /nfs/dbraw/zinc/16/20/08/179162008.db2.gz GOUWKZQRAIZACX-UHFFFAOYSA-N -2 3 237.227 1.665 20 0 BDADHL CCC[C@H](C(=O)[O-])[S@@](=O)c1cccc([O-])c1 ZINC000590901050 347584754 /nfs/dbraw/zinc/58/47/54/347584754.db2.gz RBNGOPYIYMBMQJ-HWPZZCPQSA-N -2 3 242.296 1.753 20 0 BDADHL C[C@@H]1CCC[C@@]1(C)C(=O)N=c1ccc([O-])n[n-]1 ZINC000410717617 191146744 /nfs/dbraw/zinc/14/67/44/191146744.db2.gz JZOZBTUFIFFSKW-PRHODGIISA-N -2 3 235.287 1.369 20 0 BDADHL CCc1ccsc1C(=O)N=c1ccc([O-])n[n-]1 ZINC000361959048 356939585 /nfs/dbraw/zinc/93/95/85/356939585.db2.gz WUHFFTJRTONIAW-UHFFFAOYSA-N -2 3 249.295 1.480 20 0 BDADHL Cc1ccc(C(=O)N[C@@H](C)CC(=O)[O-])c([O-])c1 ZINC000036981586 383924850 /nfs/dbraw/zinc/92/48/50/383924850.db2.gz ALYVDRJDSVQLID-QMMMGPOBSA-N -2 3 237.255 1.294 20 0 BDADHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1CC2CCC1CC2 ZINC000519103460 387011154 /nfs/dbraw/zinc/01/11/54/387011154.db2.gz GIOHYCBDLANXFO-UDNWOFFPSA-N -2 3 247.298 1.369 20 0 BDADHL CC(C)c1noc([N-][C@@H](C(=O)[O-])C(C)C)n1 ZINC000263418731 135352791 /nfs/dbraw/zinc/35/27/91/135352791.db2.gz ORYLCPXDMCUSAB-SSDOTTSWSA-N -2 3 227.264 1.714 20 0 BDADHL CCc1ccc([O-])c(C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000263448256 135355290 /nfs/dbraw/zinc/35/52/90/135355290.db2.gz RPMIXDRQBLJCSQ-ZETCQYMHSA-N -2 3 237.255 1.158 20 0 BDADHL CCC[C@H]([N-]c1nc(C(C)C)no1)C(=O)[O-] ZINC000263567323 135362770 /nfs/dbraw/zinc/36/27/70/135362770.db2.gz XLBFDEQNHWZGGT-ZETCQYMHSA-N -2 3 227.264 1.858 20 0 BDADHL Cc1nc(O[C@H](C)C2=CC=C[CH]2)cc(=O)[n-]1 ZINC001226509734 974929499 /nfs/dbraw/zinc/92/94/99/974929499.db2.gz CSLPFLCKNCXQKX-MRVPVSSYSA-N -2 3 217.248 1.958 20 0 BDADHL CC[C@H](C)CO[N-]C(=O)Cc1cncc([O-])c1 ZINC000848386336 582760226 /nfs/dbraw/zinc/76/02/26/582760226.db2.gz NQUCUHVVZMIWDD-VIFPVBQESA-N -2 3 238.287 1.424 20 0 BDADHL C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)[O-] ZINC000737711516 583939609 /nfs/dbraw/zinc/93/96/09/583939609.db2.gz FBBINOMLLOOREA-RXMQYKEDSA-N -2 3 239.252 1.859 20 0 BDADHL Cc1cc(C(=O)O[C@H](C)C(=O)[O-])ccc1[O-] ZINC000820963645 587084972 /nfs/dbraw/zinc/08/49/72/587084972.db2.gz INLQFOBQDARGQU-SSDOTTSWSA-N -2 3 224.212 1.331 20 0 BDADHL Cc1cc([O-])ccc1C(=O)O[C@H](C)C(=O)[O-] ZINC000821046166 587090882 /nfs/dbraw/zinc/09/08/82/587090882.db2.gz WJFFWSOZLRPNNR-SSDOTTSWSA-N -2 3 224.212 1.331 20 0 BDADHL CO[N-]C(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000829060869 587481260 /nfs/dbraw/zinc/48/12/60/587481260.db2.gz FOBGKBAIMPAGKM-RKDXNWHRSA-N -2 3 244.291 1.080 20 0 BDADHL Cc1cc(=O)[n-]c([C@H](C)S[C@H](C)C(=O)[O-])n1 ZINC000832900118 587694598 /nfs/dbraw/zinc/69/45/98/587694598.db2.gz YPZBLPHFNQCSGO-NKWVEPMBSA-N -2 3 242.300 1.758 20 0 BDADHL CC(C)O[N-]C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000848163160 588362886 /nfs/dbraw/zinc/36/28/86/588362886.db2.gz XRRSMAPTMHRTPQ-UHFFFAOYSA-N -2 3 237.259 1.129 20 0 BDADHL CCCO[N-]C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000911810932 639832689 /nfs/dbraw/zinc/83/26/89/639832689.db2.gz XJIDPENYPAZBLN-UHFFFAOYSA-N -2 3 237.255 1.385 20 0 BDADHL C[C@H]1CCC[C@@H](Oc2nc(=O)[n-]c(=O)[n-]2)C1 ZINC001227566494 963535400 /nfs/dbraw/zinc/53/54/00/963535400.db2.gz GRCVUMRCJLOVMH-NKWVEPMBSA-N -2 3 225.248 1.240 20 0 BDADHL O=C([O-])c1ccc(Nc2cnc[n-]c2=O)s1 ZINC001174809123 977106755 /nfs/dbraw/zinc/10/67/55/977106755.db2.gz ZADREWXUNRQVRL-UHFFFAOYSA-N -2 3 237.240 1.686 20 0 BDADHL O=C([O-])CCCO[N-]C(=O)C12CCC(CC1)C2 ZINC001601994182 978879738 /nfs/dbraw/zinc/87/97/38/978879738.db2.gz APFBRGKNXSAEST-UHFFFAOYSA-N -2 3 241.287 1.479 20 0 BDADHL O=C([O-])CCCCC(=O)[N-]OC1CCCC1 ZINC000136883213 949339100 /nfs/dbraw/zinc/33/91/00/949339100.db2.gz MKZCCWCFECBHOT-UHFFFAOYSA-N -2 3 229.276 1.622 20 0 BDADHL O=C([O-])[C@@H](CC1CC1)NC(=O)c1ccccc1[O-] ZINC000311015262 963453282 /nfs/dbraw/zinc/45/32/82/963453282.db2.gz SFXNUSHKFPOXAY-SNVBAGLBSA-N -2 3 249.266 1.375 20 0 BDADHL CC[C@@H](C)CC[C@@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227570382 963536736 /nfs/dbraw/zinc/53/67/36/963536736.db2.gz JLLGSIAQVHARMO-HTQZYQBOSA-N -2 3 241.291 1.876 20 0 BDADHL O=C([O-])c1ccc(Nc2ncc(F)cc2[O-])cn1 ZINC001210171344 969819101 /nfs/dbraw/zinc/81/91/01/969819101.db2.gz HAKREFOFPUUDIY-UHFFFAOYSA-N -2 3 249.201 1.763 20 0 BDADHL O=P([O-])([O-])CCO[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001224608085 973790658 /nfs/dbraw/zinc/79/06/58/973790658.db2.gz YYPXIFTZWCCUAK-DJLDLDEBSA-N -2 3 218.189 1.145 20 0 BDADHL C[C@@H](OCCP(=O)([O-])[O-])C1CCC1 ZINC001224605367 973792524 /nfs/dbraw/zinc/79/25/24/973792524.db2.gz IEEBIMPWMLNKAE-SSDOTTSWSA-N -2 3 208.194 1.369 20 0 BDADHL C[C@H](OCCP(=O)([O-])[O-])c1cccnc1 ZINC001224608064 973795757 /nfs/dbraw/zinc/79/57/57/973795757.db2.gz YNRZZZNILNYVKW-QMMMGPOBSA-N -2 3 231.188 1.337 20 0 BDADHL CCC[C@@H](Oc1nc(=O)[n-]c(=O)[n-]1)C(C)(C)C ZINC001227569387 975556745 /nfs/dbraw/zinc/55/67/45/975556745.db2.gz ARNJTPMDGFPWHF-SSDOTTSWSA-N -2 3 241.291 1.876 20 0 BDADHL O=c1nc(O[C@H]2CCC=CCCC2)[n-]c(=O)[n-]1 ZINC001227570756 975563424 /nfs/dbraw/zinc/56/34/24/975563424.db2.gz NXTIDXUXZGYGGS-QMMMGPOBSA-N -2 3 237.259 1.551 20 0 BDADHL O=C([O-])c1cc([N-]c2nnco2)ccc1F ZINC001175214918 977332807 /nfs/dbraw/zinc/33/28/07/977332807.db2.gz ASMSECXDOKHNOT-UHFFFAOYSA-N -2 3 223.163 1.651 20 0 BDADHL O=C([O-])c1ccc(Nc2cnc[n-]c2=O)cc1 ZINC001176709731 978174479 /nfs/dbraw/zinc/17/44/79/978174479.db2.gz MFSNFRUMENTKLA-UHFFFAOYSA-N -2 3 231.211 1.624 20 0 BDADHL Cc1cccc([O-])c1C(=O)N[C@@H](C)/C=C/C(=O)[O-] ZINC001600542880 978702371 /nfs/dbraw/zinc/70/23/71/978702371.db2.gz SVLGEGBELQFURZ-UCUJLANTSA-N -2 3 249.266 1.460 20 0 BDADHL C[C@@H]1CC[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233939064 978735905 /nfs/dbraw/zinc/73/59/05/978735905.db2.gz GVXVROZHDLYALL-RNFRBKRXSA-N -2 3 234.259 1.214 20 0 BDADHL C[C@@H]1CCCC[C@@H]1Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233936552 978735983 /nfs/dbraw/zinc/73/59/83/978735983.db2.gz YNLGNGCETBWKQK-APPZFPTMSA-N -2 3 248.286 1.604 20 0 BDADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccco1 ZINC001233943008 978737844 /nfs/dbraw/zinc/73/78/44/978737844.db2.gz HCESSBOKTTXHNY-ZCFIWIBFSA-N -2 3 246.226 1.379 20 0 BDADHL C[C@@H]1CCC[C@@]1(C)C(=O)[N-]OCCCC(=O)[O-] ZINC001604727494 979712398 /nfs/dbraw/zinc/71/23/98/979712398.db2.gz VBYWXGJOCCXNPF-BXKDBHETSA-N -2 3 243.303 1.725 20 0 BDADHL CC[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)[O-] ZINC001595349168 980651751 /nfs/dbraw/zinc/65/17/51/980651751.db2.gz RZGVOTRHYXJEKB-QMMMGPOBSA-N -2 3 237.211 1.781 20 0 BDADHL O=C(Nc1cncc([O-])c1)c1ccncc1[O-] ZINC001188629096 980684962 /nfs/dbraw/zinc/68/49/62/980684962.db2.gz YFTGECJQNDPSCZ-UHFFFAOYSA-N -2 3 231.211 1.140 20 0 BDADHL C[C@H](CC(=O)[O-])C(=O)[N-]Oc1ccc(F)cc1 ZINC001604095725 989870941 /nfs/dbraw/zinc/87/09/41/989870941.db2.gz ZRQCCNUIHYFZKQ-SSDOTTSWSA-N -2 3 241.218 1.347 20 0 BDADHL CC(C)C[C@@H](C)C(=O)[N-]OCCCC(=O)[O-] ZINC001591131818 991829921 /nfs/dbraw/zinc/82/99/21/991829921.db2.gz ZQOQUCWJUDOHGB-SECBINFHSA-N -2 3 231.292 1.581 20 0 BDADHL CC[C@H](NC(=O)c1cccc(C)c1[O-])C(=O)[O-] ZINC000035409747 398140168 /nfs/dbraw/zinc/14/01/68/398140168.db2.gz AHHLDNHSHZBKKZ-VIFPVBQESA-N -2 3 237.255 1.294 20 0 BDADHL CC(C)c1noc([N-][C@H](C(=O)[O-])C(C)C)n1 ZINC000263516004 136374851 /nfs/dbraw/zinc/37/48/51/136374851.db2.gz ORYLCPXDMCUSAB-ZETCQYMHSA-N -2 3 227.264 1.714 20 0 BDADHL CC1=CC[C@](C)(C(=O)N=c2ccc([O-])n[n-]2)CC1 ZINC000622846378 344420963 /nfs/dbraw/zinc/42/09/63/344420963.db2.gz IVLBMRWUKQDFMU-ZDUSSCGKSA-N -2 3 247.298 1.679 20 0 BDADHL [O-]c1cccnc1CN=c1nc(C2CC2)[n-]s1 ZINC000359892847 187380285 /nfs/dbraw/zinc/38/02/85/187380285.db2.gz AOLKFXJWBVQEHN-UHFFFAOYSA-N -2 3 248.311 1.550 20 0 BDADHL C[C@@]1(C(=O)N=c2ccc([O-])n[n-]2)CC=CCC1 ZINC000410717994 191146841 /nfs/dbraw/zinc/14/68/41/191146841.db2.gz KPGFKAZDDVCUJM-GFCCVEGCSA-N -2 3 233.271 1.289 20 0 BDADHL O=C(Nc1ncccc1[O-])c1ccc(F)cc1[O-] ZINC000180996817 385400714 /nfs/dbraw/zinc/40/07/14/385400714.db2.gz GQALXXKVNGFUIP-UHFFFAOYSA-N -2 3 248.213 1.884 20 0 BDADHL O=C(Nc1ncccc1[O-])c1ccc(O)cc1[O-] ZINC000192928686 386798181 /nfs/dbraw/zinc/79/81/81/386798181.db2.gz LFOJQRVBBZEABD-UHFFFAOYSA-N -2 3 246.222 1.451 20 0 BDADHL CC(C)(C)C(=O)[N-]OCc1ccc(C(=O)[O-])o1 ZINC000736242784 584993392 /nfs/dbraw/zinc/99/33/92/584993392.db2.gz YJHNRNWCSAWZML-UHFFFAOYSA-N -2 3 241.243 1.572 20 0 BDADHL CCc1cccc(C(=O)N(C)CC(=O)[O-])c1[O-] ZINC000818339334 586887237 /nfs/dbraw/zinc/88/72/37/586887237.db2.gz QENVKQRWURAEPV-UHFFFAOYSA-N -2 3 237.255 1.111 20 0 BDADHL O=C([O-])C[N-]C(=O)C(F)(F)c1ccccc1F ZINC000821529511 587122437 /nfs/dbraw/zinc/12/24/37/587122437.db2.gz LMSSUWRVQIEIRG-UHFFFAOYSA-N -2 3 247.172 1.118 20 0 BDADHL C[C@@H](CC(=O)[O-])C(=O)Nc1ccccc1[O-] ZINC000827316774 587376784 /nfs/dbraw/zinc/37/67/84/587376784.db2.gz DREDDTXFSSFSMB-ZETCQYMHSA-N -2 3 223.228 1.442 20 0 BDADHL CCC[C@@H]([N-]C(=O)C(F)(F)CC)c1nn[n-]n1 ZINC000829800528 587517551 /nfs/dbraw/zinc/51/75/51/587517551.db2.gz HFGOKZDIZDTSDE-ZCFIWIBFSA-N -2 3 247.249 1.202 20 0 BDADHL O=C([O-])NCCC(=O)Nc1cccc([O-])c1F ZINC000834229167 587749610 /nfs/dbraw/zinc/74/96/10/587749610.db2.gz YJLZAEUBNFVNMT-UHFFFAOYSA-N -2 3 242.206 1.128 20 0 BDADHL C[C@@H](OCCP(=O)([O-])[O-])c1cccnc1F ZINC001224601306 973787702 /nfs/dbraw/zinc/78/77/02/973787702.db2.gz GBDOYRGPHUTOAF-SSDOTTSWSA-N -2 3 249.178 1.476 20 0 BDADHL O=P([O-])([O-])CCO[C@H]1CCC(F)(F)C1 ZINC001224601037 973787836 /nfs/dbraw/zinc/78/78/36/973787836.db2.gz DHGOZJFHVIULJA-LURJTMIESA-N -2 3 230.147 1.369 20 0 BDADHL CO[C@@H](C)CCOCCCCP(=O)([O-])[O-] ZINC001225021943 974151827 /nfs/dbraw/zinc/15/18/27/974151827.db2.gz KPSGOPRLWUTTDK-VIFPVBQESA-N -2 3 240.236 1.386 20 0 BDADHL O=c1cc(C2CCC2)[n-]n1-c1cc(=O)[n-]cn1 ZINC001245925082 972097280 /nfs/dbraw/zinc/09/72/80/972097280.db2.gz IMZYKMDWGGQBBS-UHFFFAOYSA-N -2 3 232.243 1.341 20 0 BDADHL CCc1cc(C(=O)[O-])c([N-]S(C)(=O)=O)s1 ZINC000041580210 957390136 /nfs/dbraw/zinc/39/01/36/957390136.db2.gz HYABLDUSUYPVQW-UHFFFAOYSA-N -2 3 249.313 1.380 20 0 BDADHL O=C([O-])CCCC(=O)[N-]OCc1ccccc1 ZINC000086435790 957970248 /nfs/dbraw/zinc/97/02/48/957970248.db2.gz PVPMDFDQXUNOHD-UHFFFAOYSA-N -2 3 237.255 1.489 20 0 BDADHL CC[C@](C)(NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000094220382 958267436 /nfs/dbraw/zinc/26/74/36/958267436.db2.gz LVFKVGUROATKLC-LBPRGKRZSA-N -2 3 237.255 1.375 20 0 BDADHL O=C([O-])c1coc(C(=O)[N-]c2nncs2)c1 ZINC000128637198 958672695 /nfs/dbraw/zinc/67/26/95/958672695.db2.gz HLPYCMYMKHYRBJ-UHFFFAOYSA-N -2 3 239.212 1.082 20 0 BDADHL Cc1ccc(Nc2cnc[n-]c2=O)cc1C(=O)[O-] ZINC001211599901 959384823 /nfs/dbraw/zinc/38/48/23/959384823.db2.gz ZOJILEOXUONXOQ-UHFFFAOYSA-N -2 3 245.238 1.932 20 0 BDADHL Cc1cc([N-]c2nnco2)ccc1C(=O)[O-] ZINC001211648013 960095353 /nfs/dbraw/zinc/09/53/53/960095353.db2.gz QNYSQPANEWWYCO-UHFFFAOYSA-N -2 3 219.200 1.820 20 0 BDADHL CC/C=C(\C)C(=O)NCCCCP(=O)([O-])[O-] ZINC001142673186 961585351 /nfs/dbraw/zinc/58/53/51/961585351.db2.gz DYVMOYMLZAEPCF-RMKNXTFCSA-N -2 3 249.247 1.417 20 0 BDADHL CC[C@@H](C)CC[C@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227570390 963537534 /nfs/dbraw/zinc/53/75/34/963537534.db2.gz JLLGSIAQVHARMO-SFYZADRCSA-N -2 3 241.291 1.876 20 0 BDADHL O=S(=O)([N-]c1ccccc1[O-])C(F)(F)F ZINC000200905663 964747780 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BDADHL CCC[C@H](C)[C@@H](CC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571687 963536508 /nfs/dbraw/zinc/53/65/08/963536508.db2.gz XZVYDPIADHMKCW-JGVFFNPUSA-N -2 3 241.291 1.876 20 0 BDADHL CCCC[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224608046 964805482 /nfs/dbraw/zinc/80/54/82/964805482.db2.gz YHNDYDDHXQAUSR-MRVPVSSYSA-N -2 3 210.210 1.759 20 0 BDADHL O=C([O-])CCNC(=O)c1cc([O-])ccc1Cl ZINC000236428624 967773921 /nfs/dbraw/zinc/77/39/21/967773921.db2.gz GNNCWGHJZBLNFF-UHFFFAOYSA-N -2 3 243.646 1.250 20 0 BDADHL CCCCC[C@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227566074 975549463 /nfs/dbraw/zinc/54/94/63/975549463.db2.gz FFJYMUYUWPBAID-ZETCQYMHSA-N -2 3 227.264 1.630 20 0 BDADHL CCCC[C@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227565956 975550705 /nfs/dbraw/zinc/55/07/05/975550705.db2.gz DIWNRFKBZWALHB-LURJTMIESA-N -2 3 213.237 1.240 20 0 BDADHL CCCC(CCC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227570515 975562061 /nfs/dbraw/zinc/56/20/61/975562061.db2.gz LWNKABSWXRNLPO-UHFFFAOYSA-N -2 3 227.264 1.630 20 0 BDADHL Cc1n[n-]cc1C(=O)O[C@H](CC(C)C)C(=O)[O-] ZINC001594254287 977582048 /nfs/dbraw/zinc/58/20/48/977582048.db2.gz WVECAVQZUZFAOD-SECBINFHSA-N -2 3 240.259 1.374 20 0 BDADHL CCCC[C@@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233936184 978735591 /nfs/dbraw/zinc/73/55/91/978735591.db2.gz WYAUSSUKLMVNOT-SSDOTTSWSA-N -2 3 236.275 1.604 20 0 BDADHL CC[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)C(C)C ZINC001233944464 978738097 /nfs/dbraw/zinc/73/80/97/978738097.db2.gz NGTPPDGHUGLWIR-MRVPVSSYSA-N -2 3 236.275 1.460 20 0 BDADHL O=C([O-])CCCO[N-]C(=O)C1(CCF)CC1 ZINC001601994496 978880012 /nfs/dbraw/zinc/88/00/12/978880012.db2.gz GSGQIPSJOXGCHV-UHFFFAOYSA-N -2 3 233.239 1.039 20 0 BDADHL CC[C@@H](CC(=O)[N-]OCCCC(=O)[O-])C(C)C ZINC001604980662 979791568 /nfs/dbraw/zinc/79/15/68/979791568.db2.gz KJRQYCIQTSSPRJ-JTQLQIEISA-N -2 3 245.319 1.971 20 0 BDADHL CCC1(C(=O)[N-]OCCCC(=O)[O-])CCC1 ZINC001595367124 980818597 /nfs/dbraw/zinc/81/85/97/980818597.db2.gz XUAWYLTYZQJJOL-UHFFFAOYSA-N -2 3 229.276 1.479 20 0 BDADHL O=S(=O)(CC1CC1)[N-]c1cc(F)ccc1[O-] ZINC000083140628 983606899 /nfs/dbraw/zinc/60/68/99/983606899.db2.gz LQZOYGXXBPPUOW-UHFFFAOYSA-N -2 3 245.275 1.683 20 0 BDADHL CSCC(C)(C)C(=O)[N-]OCCCC(=O)[O-] ZINC001599790617 988000729 /nfs/dbraw/zinc/00/07/29/988000729.db2.gz KJNXRSAFLRNMKS-UHFFFAOYSA-N -2 3 249.332 1.288 20 0 BDADHL O=C(Nc1ccc(F)c(F)c1[O-])c1c[n-]nn1 ZINC001558993811 991020029 /nfs/dbraw/zinc/02/00/29/991020029.db2.gz CEUHLGVGGNPIQW-UHFFFAOYSA-N -2 3 240.169 1.041 20 0 BDADHL O=C(Nc1ccc(F)c(F)c1[O-])c1cn[n-]n1 ZINC001558993811 991020036 /nfs/dbraw/zinc/02/00/36/991020036.db2.gz CEUHLGVGGNPIQW-UHFFFAOYSA-N -2 3 240.169 1.041 20 0 BDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1[CH]CC=C1 ZINC001258805171 991802712 /nfs/dbraw/zinc/80/27/12/991802712.db2.gz MYIZMNYIOISERO-VIFPVBQESA-N -2 3 241.292 1.103 20 0 BDADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1C[C@H]1C1CCCC1 ZINC000649935056 398190467 /nfs/dbraw/zinc/19/04/67/398190467.db2.gz MFKJDMAEHYPEFQ-UWVGGRQHSA-N -2 3 247.298 1.369 20 0 BDADHL CCC[C@H](C(=O)[O-])[S@](=O)c1cccc([O-])c1 ZINC000590901053 347584624 /nfs/dbraw/zinc/58/46/24/347584624.db2.gz RBNGOPYIYMBMQJ-QLJPJBMISA-N -2 3 242.296 1.753 20 0 BDADHL C[C@@H]1CC[C@H](C(=O)N=c2ccc([O-])n[n-]2)C[C@H]1C ZINC000410717551 191146723 /nfs/dbraw/zinc/14/67/23/191146723.db2.gz JTBNICCMDDUXAC-BBBLOLIVSA-N -2 3 249.314 1.615 20 0 BDADHL CC(=O)c1[n-]c(=NC[C@@H](C)C(=O)[O-])sc1C ZINC000582668797 357359276 /nfs/dbraw/zinc/35/92/76/357359276.db2.gz LSKYCWFEOZAVTC-RXMQYKEDSA-N -2 3 242.300 1.209 20 0 BDADHL CCC[C@H](C(=O)[O-])[S@@](=O)c1ccc([O-])cc1 ZINC000521825017 259551631 /nfs/dbraw/zinc/55/16/31/259551631.db2.gz KYOVQJUUPJFEMM-HWPZZCPQSA-N -2 3 242.296 1.753 20 0 BDADHL O=S(=O)(CCCCF)[N-]c1ccccc1[O-] ZINC000294318365 385836809 /nfs/dbraw/zinc/83/68/09/385836809.db2.gz WMYANOSXVSVWGQ-UHFFFAOYSA-N -2 3 247.291 1.884 20 0 BDADHL CC[C@H](NC(=O)c1cc(C)ccc1[O-])C(=O)[O-] ZINC000035409813 171509260 /nfs/dbraw/zinc/50/92/60/171509260.db2.gz GVLROBPXGHCDMO-VIFPVBQESA-N -2 3 237.255 1.294 20 0 BDADHL O=C(Nc1cc(F)ccc1[O-])c1cncc([O-])c1 ZINC000174876512 229396021 /nfs/dbraw/zinc/39/60/21/229396021.db2.gz BJEKSBHTLRFNNP-UHFFFAOYSA-N -2 3 248.213 1.884 20 0 BDADHL O=C([O-])CCCCC(=O)Nc1ccccc1[O-] ZINC000109346801 487933851 /nfs/dbraw/zinc/93/38/51/487933851.db2.gz JZGSYJRBNZSZCS-UHFFFAOYSA-N -2 3 237.255 1.976 20 0 BDADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1cnco1 ZINC000677521254 488063686 /nfs/dbraw/zinc/06/36/86/488063686.db2.gz PRJXOXIEGYCMPW-UHFFFAOYSA-N -2 3 247.136 1.064 20 0 BDADHL O=C([N-]c1c([O-])cccc1F)c1cccc[n+]1[O-] ZINC000735925153 584984355 /nfs/dbraw/zinc/98/43/55/584984355.db2.gz OGFNGTIBIBKKEN-UHFFFAOYSA-N -2 3 248.213 1.417 20 0 BDADHL CCO[N-]C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000737179430 585027105 /nfs/dbraw/zinc/02/71/05/585027105.db2.gz JRFDESUQZOPHIT-UHFFFAOYSA-N -2 3 238.243 1.766 20 0 BDADHL O=C([O-])c1ccc(C=Cc2nccc(=O)[n-]2)[nH]1 ZINC000833312096 587705380 /nfs/dbraw/zinc/70/53/80/587705380.db2.gz JGOHXFLIJGTEFP-RQOWECAXSA-N -2 3 231.211 1.379 20 0 BDADHL CCO[N-]C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000864690327 589390239 /nfs/dbraw/zinc/39/02/39/589390239.db2.gz NFZIGNNEWNIFHS-UHFFFAOYSA-N -2 3 229.663 1.656 20 0 BDADHL CC[C@@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871992732 589854977 /nfs/dbraw/zinc/85/49/77/589854977.db2.gz COWJVFLKSDUFNX-ZCFIWIBFSA-N -2 3 247.272 1.055 20 0 BDADHL O=C([O-])C[C@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC000137174448 592157422 /nfs/dbraw/zinc/15/74/22/592157422.db2.gz KBWDRIMVPCHSMF-JTQLQIEISA-N -2 3 249.266 1.375 20 0 BDADHL CC(C)(CNC(=O)c1cccc([O-])c1)C(=O)[O-] ZINC000137468940 592184224 /nfs/dbraw/zinc/18/42/24/592184224.db2.gz HLKKEKCNAVCUHP-UHFFFAOYSA-N -2 3 237.255 1.233 20 0 BDADHL CCO[N-]C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000911802158 639824068 /nfs/dbraw/zinc/82/40/68/639824068.db2.gz ZESNVCMBWRSCLL-UHFFFAOYSA-N -2 3 227.260 1.089 20 0 BDADHL O=C([O-])CCCCC(=O)[N-]OCCC1CC1 ZINC000911809230 639831426 /nfs/dbraw/zinc/83/14/26/639831426.db2.gz JOPHMQCTYTWIPM-UHFFFAOYSA-N -2 3 229.276 1.479 20 0 BDADHL CC(C)(CC(=O)[O-])CC(=O)[N-]OCCC1CC1 ZINC000911809808 639831440 /nfs/dbraw/zinc/83/14/40/639831440.db2.gz OFSUYFCMGHXSIO-UHFFFAOYSA-N -2 3 243.303 1.725 20 0 BDADHL CC(C)C[C@@H]([N-]c1nnc(C(F)F)o1)C(=O)[O-] ZINC001588887773 982520407 /nfs/dbraw/zinc/52/04/07/982520407.db2.gz ZZKKTELATRUCEC-RXMQYKEDSA-N -2 3 249.217 1.918 20 0 BDADHL CN(CC(=O)[O-])Cc1c(F)ccc([O-])c1F ZINC001610916267 970787824 /nfs/dbraw/zinc/78/78/24/970787824.db2.gz VMOLSLRZGDIXDQ-UHFFFAOYSA-N -2 3 231.198 1.187 20 0 BDADHL Cc1nc(Nc2ccccc2C(=O)[O-])cc(=O)[n-]1 ZINC001210969216 957964017 /nfs/dbraw/zinc/96/40/17/957964017.db2.gz IFOONHWWNHWKIL-UHFFFAOYSA-N -2 3 245.238 1.932 20 0 BDADHL CC(C)=CC(=O)NCCCCP(=O)([O-])[O-] ZINC001143928696 972399001 /nfs/dbraw/zinc/39/90/01/972399001.db2.gz MQWPNXNMBIGIFU-UHFFFAOYSA-N -2 3 235.220 1.027 20 0 BDADHL CC(C)CC(=O)NCCCCP(=O)([O-])[O-] ZINC001142711194 961667985 /nfs/dbraw/zinc/66/79/85/961667985.db2.gz KOQRSDFJYKYLIM-UHFFFAOYSA-N -2 3 237.236 1.107 20 0 BDADHL CCC[C@@H](Oc1nc(=O)[n-]c(=O)[n-]1)[C@@H](C)CC ZINC001227570663 963536784 /nfs/dbraw/zinc/53/67/84/963536784.db2.gz MTBBNEXZYZZHFU-JGVFFNPUSA-N -2 3 241.291 1.876 20 0 BDADHL CC[C@H](C)[C@@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569861 963537434 /nfs/dbraw/zinc/53/74/34/963537434.db2.gz GSCGTADEKLIVPT-NTSWFWBYSA-N -2 3 213.237 1.096 20 0 BDADHL O=c1nc2cn[n-]c2c(O[C@@H]2C=CCCC2)[n-]1 ZINC001233939013 965622638 /nfs/dbraw/zinc/62/26/38/965622638.db2.gz GHWFCADFLKOYBF-SSDOTTSWSA-N -2 3 232.243 1.134 20 0 BDADHL Cc1ccc(-c2cncc(C(=O)[O-])n2)c([O-])c1 ZINC001241030744 968867262 /nfs/dbraw/zinc/86/72/62/968867262.db2.gz QKPZRMSXJQASQF-UHFFFAOYSA-N -2 3 230.223 1.856 20 0 BDADHL Cc1nonc1[N-]c1ccsc1C(=O)[O-] ZINC001215383887 970734187 /nfs/dbraw/zinc/73/41/87/970734187.db2.gz STFQDFRPIFKANM-UHFFFAOYSA-N -2 3 225.229 1.881 20 0 BDADHL C[C@H](OCCP(=O)([O-])[O-])c1ccccc1 ZINC001224603117 973792746 /nfs/dbraw/zinc/79/27/46/973792746.db2.gz IBGNILLNITWTIV-VIFPVBQESA-N -2 3 230.200 1.942 20 0 BDADHL O=P([O-])([O-])CCCCOC1CCCC1 ZINC001225019931 974148069 /nfs/dbraw/zinc/14/80/69/974148069.db2.gz CJTGCJXEKRPBIR-UHFFFAOYSA-N -2 3 222.221 1.904 20 0 BDADHL C[C@H]1CC[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)CC1 ZINC001227569700 975554304 /nfs/dbraw/zinc/55/43/04/975554304.db2.gz FCZHAQQJLSRPPL-LJGSYFOKSA-N -2 3 225.248 1.240 20 0 BDADHL Cc1cccc([C@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)c1 ZINC001227571457 975562609 /nfs/dbraw/zinc/56/26/09/975562609.db2.gz UOJFVQZNDHBSSZ-QMMMGPOBSA-N -2 3 247.254 1.731 20 0 BDADHL C[C@@H]1CC[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)C[C@H]1C ZINC001227571395 975565576 /nfs/dbraw/zinc/56/55/76/975565576.db2.gz SZZNNMVFBNVZOT-PRJMDXOYSA-N -2 3 239.275 1.486 20 0 BDADHL CCC[C@@H](C)C(=O)[N-]OCCCC(=O)[O-] ZINC001595567796 981469621 /nfs/dbraw/zinc/46/96/21/981469621.db2.gz PWYRLKCTQYACFK-MRVPVSSYSA-N -2 3 217.265 1.335 20 0 BDADHL CCC[C@H](C)C(=O)[N-]OCCCC(=O)[O-] ZINC001595567797 981469762 /nfs/dbraw/zinc/46/97/62/981469762.db2.gz PWYRLKCTQYACFK-QMMMGPOBSA-N -2 3 217.265 1.335 20 0 BDADHL C[C@@H](CC(=O)[O-])CC(=O)[N-]OC/C=C\Cl ZINC001592391283 983158294 /nfs/dbraw/zinc/15/82/94/983158294.db2.gz GRORCBAXXRTZNC-SKRYNEFJSA-N -2 3 235.667 1.288 20 0 BDADHL O=C([O-])c1ccc(-c2cccc([O-])c2F)nn1 ZINC001243544502 985084802 /nfs/dbraw/zinc/08/48/02/985084802.db2.gz QWOWUJNBAROWNB-UHFFFAOYSA-N -2 3 234.186 1.687 20 0 BDADHL CCCc1cc(=O)n(-c2cc(=O)[n-]cn2)[n-]1 ZINC001245924839 987172998 /nfs/dbraw/zinc/17/29/98/987172998.db2.gz MKWHEPXXTRFGSS-UHFFFAOYSA-N -2 3 220.232 1.026 20 0 BDADHL CCc1ccc(C(=O)N[C@H](C)C(=O)[O-])c([O-])c1 ZINC001597501048 988063886 /nfs/dbraw/zinc/06/38/86/988063886.db2.gz NENJNEXKFYBJCN-SSDOTTSWSA-N -2 3 237.255 1.158 20 0 BDADHL COC(=O)c1cnc(SCCCC(=O)[O-])[n-]1 ZINC001598917488 997501048 /nfs/dbraw/zinc/50/10/48/997501048.db2.gz PQRGGHCUVGVCSK-UHFFFAOYSA-N -2 3 244.272 1.153 20 0 BDADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1CCCC2(CC2)C1 ZINC000622847244 344420204 /nfs/dbraw/zinc/42/02/04/344420204.db2.gz NFHNXJCETDDNHM-VIFPVBQESA-N -2 3 247.298 1.513 20 0 BDADHL Cc1cccc(C(=O)N(CC(=O)[O-])C2CC2)c1[O-] ZINC000037588541 179006284 /nfs/dbraw/zinc/00/62/84/179006284.db2.gz SWAPXDUEULZSLY-UHFFFAOYSA-N -2 3 249.266 1.390 20 0 BDADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1CCCC12CC2 ZINC000637126257 350206941 /nfs/dbraw/zinc/20/69/41/350206941.db2.gz FSNMSCYDDKQUNP-MRVPVSSYSA-N -2 3 233.271 1.123 20 0 BDADHL Cc1ccc([O-])c(NC(=O)c2ncccc2[O-])n1 ZINC000345942420 354815193 /nfs/dbraw/zinc/81/51/93/354815193.db2.gz PHJNDPHPPDIHFX-UHFFFAOYSA-N -2 3 245.238 1.449 20 0 BDADHL O=C(Nc1ccc(Cl)cc1[O-])c1c[n-]nn1 ZINC000339007199 182354601 /nfs/dbraw/zinc/35/46/01/182354601.db2.gz LSROUEWEYNVDBW-UHFFFAOYSA-N -2 3 238.634 1.416 20 0 BDADHL O=C(Nc1ccc(Cl)cc1[O-])c1cnn[n-]1 ZINC000339007199 182354605 /nfs/dbraw/zinc/35/46/05/182354605.db2.gz LSROUEWEYNVDBW-UHFFFAOYSA-N -2 3 238.634 1.416 20 0 BDADHL O=C(Nc1ccc(Cl)cc1[O-])c1cn[n-]n1 ZINC000339007199 182354607 /nfs/dbraw/zinc/35/46/07/182354607.db2.gz LSROUEWEYNVDBW-UHFFFAOYSA-N -2 3 238.634 1.416 20 0 BDADHL O=C([O-])C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000011639233 384293556 /nfs/dbraw/zinc/29/35/56/384293556.db2.gz CWKJIQYDDZHTEC-UHFFFAOYSA-N -2 3 249.266 1.329 20 0 BDADHL Cc1ccc([O-])c(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000062117434 385159973 /nfs/dbraw/zinc/15/99/73/385159973.db2.gz GGOVMIUPVPNWIM-SECBINFHSA-N -2 3 249.266 1.247 20 0 BDADHL O=C([O-])CCC(=O)Nc1cc(F)ccc1[O-] ZINC000179080515 385366487 /nfs/dbraw/zinc/36/64/87/385366487.db2.gz CDAHQQXLCSOICL-UHFFFAOYSA-N -2 3 227.191 1.335 20 0 BDADHL CSc1nc([N-]C(=O)c2cc(C)no2)n[n-]1 ZINC000340261861 386144531 /nfs/dbraw/zinc/14/45/31/386144531.db2.gz JKLTUXLOGFXSHN-UHFFFAOYSA-N -2 3 239.260 1.075 20 0 BDADHL CC[C@H](C)CON=C([O-])N=c1cn[n-]s1 ZINC000297911540 171290296 /nfs/dbraw/zinc/29/02/96/171290296.db2.gz TZWJHUQMDRGKKA-LURJTMIESA-N -2 3 230.293 1.637 20 0 BDADHL O=C([O-])C1(C(=O)Nc2ncccc2[O-])CC=CC1 ZINC000663115627 412385058 /nfs/dbraw/zinc/38/50/58/412385058.db2.gz NJHMIRIYFGOZLT-UHFFFAOYSA-N -2 3 248.238 1.147 20 0 BDADHL O=C([O-])CN(CC1CC1)C(=O)c1ccccc1[O-] ZINC000036884300 487717073 /nfs/dbraw/zinc/71/70/73/487717073.db2.gz DFSWAFLTKAMWAI-UHFFFAOYSA-N -2 3 249.266 1.329 20 0 BDADHL CC[C@H](C(=O)[O-])N(C)Cc1nc(C)ccc1[O-] ZINC000091996748 488079866 /nfs/dbraw/zinc/07/98/66/488079866.db2.gz ZTBIKOMYSJXGSY-SNVBAGLBSA-N -2 3 238.287 1.391 20 0 BDADHL O=C(Cc1cncc([O-])c1)[N-]OCC1CCC1 ZINC000856352163 588870362 /nfs/dbraw/zinc/87/03/62/588870362.db2.gz WQFHAQUFQBLMPL-UHFFFAOYSA-N -2 3 236.271 1.178 20 0 BDADHL CCn1nc(C)cc1-c1ncc(C(=O)[O-])cc1[O-] ZINC000901047626 584378493 /nfs/dbraw/zinc/37/84/93/584378493.db2.gz LCAYAAWWYSZJEZ-UHFFFAOYSA-N -2 3 247.254 1.677 20 0 BDADHL Cc1nonc1C(=O)[N-]c1c([O-])cccc1F ZINC000743416199 585136314 /nfs/dbraw/zinc/13/63/14/585136314.db2.gz OWIMWDBSNLQMSC-UHFFFAOYSA-N -2 3 237.190 1.475 20 0 BDADHL Cc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])ccc1[O-] ZINC000202527068 589177704 /nfs/dbraw/zinc/17/77/04/589177704.db2.gz NKSXYUPDWXNFEJ-JTQLQIEISA-N -2 3 249.266 1.390 20 0 BDADHL CCCC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993082 589855489 /nfs/dbraw/zinc/85/54/89/589855489.db2.gz JEWLWJRIEMICFH-UHFFFAOYSA-N -2 3 247.272 1.056 20 0 BDADHL O=C1[N-]C(=O)C(=Cc2ccc([O-])c(F)c2)S1 ZINC000874927569 590156073 /nfs/dbraw/zinc/15/60/73/590156073.db2.gz DYSWNYJQQVADPY-XBXARRHUSA-N -2 3 239.227 1.855 20 0 BDADHL O=S(=O)([N-][C@H]1[CH]CC=C1)c1ccco1 ZINC001186884620 980449326 /nfs/dbraw/zinc/44/93/26/980449326.db2.gz GNIBYZFIRDILLB-MRVPVSSYSA-N -2 3 212.250 1.091 20 0 BDADHL C[C@@H](OCCP(=O)([O-])[O-])c1ccccn1 ZINC001224605441 973796355 /nfs/dbraw/zinc/79/63/55/973796355.db2.gz ISDBSXYMIOPJAY-MRVPVSSYSA-N -2 3 231.188 1.337 20 0 BDADHL O=C([O-])Cc1noc(-c2ccccc2[O-])n1 ZINC000258036381 950035985 /nfs/dbraw/zinc/03/59/85/950035985.db2.gz OFRHCROZZOQHPA-UHFFFAOYSA-N -2 3 220.184 1.069 20 0 BDADHL CC(C)(C)O[N-]C(=O)CCCCC(=O)[O-] ZINC000134474866 958838408 /nfs/dbraw/zinc/83/84/08/958838408.db2.gz SLEMEACXFAYIPT-UHFFFAOYSA-N -2 3 217.265 1.478 20 0 BDADHL Cc1ncc(Nc2ccccc2C(=O)[O-])c(=O)[n-]1 ZINC001210965292 970090945 /nfs/dbraw/zinc/09/09/45/970090945.db2.gz LSDWCFDSHAIISC-UHFFFAOYSA-N -2 3 245.238 1.932 20 0 BDADHL COC1=CC[C@H](OCCP(=O)([O-])[O-])CC1 ZINC001224601158 973785987 /nfs/dbraw/zinc/78/59/87/973785987.db2.gz DSXOUEKYXSIZIS-VIFPVBQESA-N -2 3 236.204 1.264 20 0 BDADHL O=P([O-])([O-])CCO[C@@H]1CCC(F)(F)C1 ZINC001224601038 973786853 /nfs/dbraw/zinc/78/68/53/973786853.db2.gz DHGOZJFHVIULJA-ZCFIWIBFSA-N -2 3 230.147 1.369 20 0 BDADHL [S-]c1[n-]c(OC2CCC2)nc2ncnc1-2 ZINC001226781063 975081405 /nfs/dbraw/zinc/08/14/05/975081405.db2.gz WIJVLMRVOWHIND-UHFFFAOYSA-N -2 3 222.273 1.573 20 0 BDADHL CC[C@@H](Oc1nc(=O)[n-]c(=O)[n-]1)c1ccccc1 ZINC001227565556 975546436 /nfs/dbraw/zinc/54/64/36/975546436.db2.gz ADKFXJOYSKVQMK-SECBINFHSA-N -2 3 247.254 1.813 20 0 BDADHL C[C@H]1CCC[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)C1 ZINC001227566492 975549760 /nfs/dbraw/zinc/54/97/60/975549760.db2.gz GRCVUMRCJLOVMH-BQBZGAKWSA-N -2 3 225.248 1.240 20 0 BDADHL CC/C=C(\C)[C@@H](CC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227570830 975563910 /nfs/dbraw/zinc/56/39/10/975563910.db2.gz OFQMHSIHPCVIHD-HYDMIIDASA-N -2 3 239.275 1.797 20 0 BDADHL Cc1ccc(C(=O)[O-])cc1Nc1cnc[n-]c1=O ZINC001174983041 977220091 /nfs/dbraw/zinc/22/00/91/977220091.db2.gz CNJAMFFZLVSRAW-UHFFFAOYSA-N -2 3 245.238 1.932 20 0 BDADHL Cc1cc(C(=O)[O-])nc(=NOCC(C)C)[n-]1 ZINC001600128629 978668617 /nfs/dbraw/zinc/66/86/17/978668617.db2.gz UZPJRWGJUZVTIE-UHFFFAOYSA-N -2 3 225.248 1.483 20 0 BDADHL O=C([O-])CCCC(=O)[N-]OC/C=C/Cl ZINC001601978856 978875126 /nfs/dbraw/zinc/87/51/26/978875126.db2.gz AVDKPNOHDCTOOR-GORDUTHDSA-N -2 3 221.640 1.042 20 0 BDADHL C[C@@H](Sc1cc(Cl)nc(=O)[n-]1)C(=O)[O-] ZINC001604451526 979652872 /nfs/dbraw/zinc/65/28/72/979652872.db2.gz CDGVJYYGVDWNGC-GSVOUGTGSA-N -2 3 234.664 1.401 20 0 BDADHL CCN(CC(=O)[O-])Cc1ccc([O-])c(F)c1F ZINC001596226366 983617778 /nfs/dbraw/zinc/61/77/78/983617778.db2.gz WSFHKQCOBVMQIG-UHFFFAOYSA-N -2 3 245.225 1.577 20 0 BDADHL CC(=O)c1cccc(NC(=O)CC(=O)[O-])c1[O-] ZINC001589311173 986092214 /nfs/dbraw/zinc/09/22/14/986092214.db2.gz LVLSHPWDNDFZGA-UHFFFAOYSA-N -2 3 237.211 1.008 20 0 BDADHL CC[C@@H](C)S(=O)(=O)[N-]c1nc(C)ccc1[O-] ZINC001260723863 992135922 /nfs/dbraw/zinc/13/59/22/992135922.db2.gz DKKXSYACAPSXGI-MRVPVSSYSA-N -2 3 244.316 1.636 20 0 BDADHL C[C@@]1(C(=O)[N-]OCCCC(=O)[O-])CC=CCC1 ZINC001593754794 996399189 /nfs/dbraw/zinc/39/91/89/996399189.db2.gz BDRMWFXWYLPVPU-GFCCVEGCSA-N -2 3 241.287 1.645 20 0 BDADHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1C[C@H]1C1CCCC1 ZINC000649935057 398190139 /nfs/dbraw/zinc/19/01/39/398190139.db2.gz MFKJDMAEHYPEFQ-VHSXEESVSA-N -2 3 247.298 1.369 20 0 BDADHL CC(C)N(CC(=O)[O-])C(=O)c1ccccc1[O-] ZINC000037993264 343364200 /nfs/dbraw/zinc/36/42/00/343364200.db2.gz GFZWXMLDJZEUNB-UHFFFAOYSA-N -2 3 237.255 1.327 20 0 BDADHL O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000634824443 344665783 /nfs/dbraw/zinc/66/57/83/344665783.db2.gz TYSCCADPYWKWHK-NKWVEPMBSA-N -2 3 239.202 1.191 20 0 BDADHL CC[C@H](C(=O)[O-])[S@](=O)c1cccc([O-])c1 ZINC000590900933 347584642 /nfs/dbraw/zinc/58/46/42/347584642.db2.gz OZBGPZIQQMNVGK-RFAUZJTJSA-N -2 3 228.269 1.363 20 0 BDADHL O=C([N-]OC1CCCC1)C(=O)c1ccc([O-])cc1 ZINC000287662402 188388597 /nfs/dbraw/zinc/38/85/97/188388597.db2.gz BAGHGWINYYYXJL-UHFFFAOYSA-N -2 3 249.266 1.565 20 0 BDADHL CC[C@H](C(=O)[O-])[S@](=O)c1ccc([O-])cc1 ZINC000059739203 368533025 /nfs/dbraw/zinc/53/30/25/368533025.db2.gz QVUWRVYHRHKQQX-PSLIRLAXSA-N -2 3 228.269 1.363 20 0 BDADHL CC[C@@H](C(=O)[O-])[S@](=O)c1ccc([O-])cc1 ZINC000059739200 368533419 /nfs/dbraw/zinc/53/34/19/368533419.db2.gz QVUWRVYHRHKQQX-VFZGTOFNSA-N -2 3 228.269 1.363 20 0 BDADHL O=C(CCCC1CC1)N=c1ccc([O-])n[n-]1 ZINC000643769884 385169444 /nfs/dbraw/zinc/16/94/44/385169444.db2.gz GXJCTNZNXKPFKY-UHFFFAOYSA-N -2 3 221.260 1.123 20 0 BDADHL CO[C@H](C)CS(=O)(=O)[N-]c1ccccc1[O-] ZINC000193109444 385384844 /nfs/dbraw/zinc/38/48/44/385384844.db2.gz BKMJHRCLCJIRSD-MRVPVSSYSA-N -2 3 245.300 1.169 20 0 BDADHL CC(C)[C@@H](C(=O)[O-])[S@@](=O)c1ccc([O-])cc1 ZINC000556712081 322920390 /nfs/dbraw/zinc/92/03/90/322920390.db2.gz RIMPKVJHCKCTAY-QFYYESIMSA-N -2 3 242.296 1.609 20 0 BDADHL C[C@@H]1CN(C(=O)c2cccc([O-])c2)C[C@@H]1C(=O)[O-] ZINC000104202712 176262072 /nfs/dbraw/zinc/26/20/72/176262072.db2.gz XMVALSMQQDGBPI-KCJUWKMLSA-N -2 3 249.266 1.185 20 0 BDADHL O=C(Nc1c([O-])cccc1F)c1ncccc1[O-] ZINC000133115690 491146910 /nfs/dbraw/zinc/14/69/10/491146910.db2.gz DBZFBRIPIAPPGU-UHFFFAOYSA-N -2 3 248.213 1.884 20 0 BDADHL CC(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000820012001 587012826 /nfs/dbraw/zinc/01/28/26/587012826.db2.gz QWNOTRMETKHTPZ-UHFFFAOYSA-N -2 3 247.258 1.167 20 0 BDADHL COc1cc(C(=O)O[C@H](C)C(=O)[O-])ccc1[O-] ZINC000820759271 587070821 /nfs/dbraw/zinc/07/08/21/587070821.db2.gz NEQXMZQVWYKFEB-ZCFIWIBFSA-N -2 3 240.211 1.031 20 0 BDADHL CCCO[N-]C(=O)N=c1nc(SC)[n-]s1 ZINC000831540168 587617815 /nfs/dbraw/zinc/61/78/15/587617815.db2.gz LCIVWFFKUOUVID-UHFFFAOYSA-N -2 3 248.333 1.723 20 0 BDADHL O=C([O-])c1cc(C=Cc2nccc(=O)[n-]2)c[nH]1 ZINC000833298545 587705067 /nfs/dbraw/zinc/70/50/67/587705067.db2.gz YZMKGHJYZKNRIE-UPHRSURJSA-N -2 3 231.211 1.379 20 0 BDADHL O=C([O-])CSc1n[n-]c(-c2ccccn2)n1 ZINC000020159522 590079235 /nfs/dbraw/zinc/07/92/35/590079235.db2.gz HOZCULVLWDUXAM-UHFFFAOYSA-N -2 3 236.256 1.043 20 0 BDADHL CC(C)[C@H](NC(=O)c1cccc([O-])c1)C(=O)[O-] ZINC000022150502 590343010 /nfs/dbraw/zinc/34/30/10/590343010.db2.gz IJAILNPBJMOYTE-JTQLQIEISA-N -2 3 237.255 1.231 20 0 BDADHL CC(C)(CC(=O)[O-])CC(=O)[N-]OC1CCCC1 ZINC000136882686 592152546 /nfs/dbraw/zinc/15/25/46/592152546.db2.gz XWUHFDXCGIGPIZ-UHFFFAOYSA-N -2 3 243.303 1.868 20 0 BDADHL CCO[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000911802120 639824923 /nfs/dbraw/zinc/82/49/23/639824923.db2.gz YOCQEKLGPUDCIE-UHFFFAOYSA-N -2 3 241.287 1.479 20 0 BDADHL CC(C)O[N-]C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000911809291 639831371 /nfs/dbraw/zinc/83/13/71/639831371.db2.gz KWUUXCNGCLFGKR-UHFFFAOYSA-N -2 3 237.255 1.384 20 0 BDADHL O=C([O-])c1cccc(CC(=O)[N-]OCC2CC2)c1 ZINC000911812126 639834371 /nfs/dbraw/zinc/83/43/71/639834371.db2.gz YTSSLGLFZZKQBC-UHFFFAOYSA-N -2 3 249.266 1.385 20 0 BDADHL C[C@H](Cc1ccccc1)OCCP(=O)([O-])[O-] ZINC001224603185 964799650 /nfs/dbraw/zinc/79/96/50/964799650.db2.gz WBTFNFBUNFMAIT-SNVBAGLBSA-N -2 3 244.227 1.812 20 0 BDADHL C[C@H](OCCP(=O)([O-])[O-])C(F)(F)F ZINC001224601885 973789013 /nfs/dbraw/zinc/78/90/13/973789013.db2.gz LYJIAZRBROWSKY-BYPYZUCNSA-N -2 3 222.099 1.132 20 0 BDADHL CC(C)c1cc(=O)n(-c2cc(=O)[n-]cn2)[n-]1 ZINC001245917239 972094567 /nfs/dbraw/zinc/09/45/67/972094567.db2.gz HXKQLJQQSXZQJU-UHFFFAOYSA-N -2 3 220.232 1.197 20 0 BDADHL Cc1ccccc1[C@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571699 963536237 /nfs/dbraw/zinc/53/62/37/963536237.db2.gz YALYUEGWHLITGT-QMMMGPOBSA-N -2 3 247.254 1.731 20 0 BDADHL Cc1cc(C)nc(NCCOP(=O)([O-])[O-])c1 ZINC001157787453 963724775 /nfs/dbraw/zinc/72/47/75/963724775.db2.gz IKSJABIEQJQULG-UHFFFAOYSA-N -2 3 246.203 1.220 20 0 BDADHL CC[C@@H](C)[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224600886 973787503 /nfs/dbraw/zinc/78/75/03/973787503.db2.gz BLPUNHFIBJPSRL-HTQZYQBOSA-N -2 3 210.210 1.615 20 0 BDADHL [S-]c1[n-]c(OC2CC2)nc2ncnc1-2 ZINC001226785210 975083795 /nfs/dbraw/zinc/08/37/95/975083795.db2.gz LVCLAYFGVGDIDH-UHFFFAOYSA-N -2 3 208.246 1.183 20 0 BDADHL CCC[C@@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233934394 978735709 /nfs/dbraw/zinc/73/57/09/978735709.db2.gz KXIFMJMFSJISJT-ZCFIWIBFSA-N -2 3 222.248 1.214 20 0 BDADHL Cc1cc(=O)[n-]c(C=Cc2cc(C(=O)[O-])co2)n1 ZINC001607698693 980125284 /nfs/dbraw/zinc/12/52/84/980125284.db2.gz FEVZMTURHYQCIS-NSCUHMNNSA-N -2 3 246.222 1.952 20 0 BDADHL CCc1ccc(C(=O)N2CC(C(=O)[O-])C2)c([O-])c1 ZINC001593635458 983324678 /nfs/dbraw/zinc/32/46/78/983324678.db2.gz RFCIEZQQZOHYKJ-UHFFFAOYSA-N -2 3 249.266 1.111 20 0 BDADHL O=C([O-])c1ccc(-c2ccc(=S)[n-]n2)cn1 ZINC001242332865 983572390 /nfs/dbraw/zinc/57/23/90/983572390.db2.gz DKZVWWJVZZLMSX-UHFFFAOYSA-N -2 3 233.252 1.526 20 0 BDADHL C[C@]1(C(=O)[N-]OCCCC(=O)[O-])CC=CCC1 ZINC001593754795 996399802 /nfs/dbraw/zinc/39/98/02/996399802.db2.gz BDRMWFXWYLPVPU-LBPRGKRZSA-N -2 3 241.287 1.645 20 0 BDADHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1C[C@@H]1C1CCCC1 ZINC000649935055 398190318 /nfs/dbraw/zinc/19/03/18/398190318.db2.gz MFKJDMAEHYPEFQ-NXEZZACHSA-N -2 3 247.298 1.369 20 0 BDADHL O=C([O-])C1(C(=O)Nc2ccccc2[O-])CC1 ZINC000649465767 398265968 /nfs/dbraw/zinc/26/59/68/398265968.db2.gz GQJGPGFRZSVNQC-UHFFFAOYSA-N -2 3 221.212 1.196 20 0 BDADHL Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000019517055 178388862 /nfs/dbraw/zinc/38/88/62/178388862.db2.gz VVWZTAVHHOZBRG-SNVBAGLBSA-N -2 3 249.266 1.390 20 0 BDADHL O=C([O-])CSCC(=O)Nc1ccccc1[O-] ZINC000197682564 345725190 /nfs/dbraw/zinc/72/51/90/345725190.db2.gz TVBGBISBZHFMEX-UHFFFAOYSA-N -2 3 241.268 1.149 20 0 BDADHL Cc1cccc(C(=O)N(C)[C@@H](C)C(=O)[O-])c1[O-] ZINC000054051172 179005337 /nfs/dbraw/zinc/00/53/37/179005337.db2.gz PYWOKGXISHDUJS-QMMMGPOBSA-N -2 3 237.255 1.246 20 0 BDADHL Cc1cccc(C(=O)N2CC[C@H](C(=O)[O-])C2)c1[O-] ZINC000062117593 179011715 /nfs/dbraw/zinc/01/17/15/179011715.db2.gz LPGWYLHZBLAGQB-VIFPVBQESA-N -2 3 249.266 1.247 20 0 BDADHL Cc1cccc(C(=O)NC[C@H](C)C(=O)[O-])c1[O-] ZINC000054309685 179018022 /nfs/dbraw/zinc/01/80/22/179018022.db2.gz DBRHZTPUXPULAT-QMMMGPOBSA-N -2 3 237.255 1.151 20 0 BDADHL [O-]c1cc(F)cc(CNCc2ncccc2[O-])c1 ZINC000355317183 183259630 /nfs/dbraw/zinc/25/96/30/183259630.db2.gz OZLHXXWBHNBSMX-UHFFFAOYSA-N -2 3 248.257 1.922 20 0 BDADHL Cn1cnc(=NC(=O)c2cc3ccsc3[n-]2)[n-]1 ZINC000647078747 385238798 /nfs/dbraw/zinc/23/87/98/385238798.db2.gz ALMDQDRYWJJRGU-UHFFFAOYSA-N -2 3 247.283 1.032 20 0 BDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1ccccc1[O-] ZINC000193109431 385385969 /nfs/dbraw/zinc/38/59/69/385385969.db2.gz BKMJHRCLCJIRSD-QMMMGPOBSA-N -2 3 245.300 1.169 20 0 BDADHL C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C(=O)[O-] ZINC000111248099 176263049 /nfs/dbraw/zinc/26/30/49/176263049.db2.gz QVJHBKVTEZJWCA-PSASIEDQSA-N -2 3 249.266 1.185 20 0 BDADHL C[C@H]1CC=CC[C@H]1C(=O)N=c1ccc([O-])n[n-]1 ZINC000341689085 177068895 /nfs/dbraw/zinc/06/88/95/177068895.db2.gz XWVYIXODDHIOPR-DTWKUNHWSA-N -2 3 233.271 1.145 20 0 BDADHL Cc1nn(C)c(C)c1[N-]c1nc(C(=O)[O-])co1 ZINC000564733099 325805552 /nfs/dbraw/zinc/80/55/52/325805552.db2.gz SEGIEYMBTSSNSW-UHFFFAOYSA-N -2 3 236.231 1.467 20 0 BDADHL O=C([O-])c1cnc(C=Cc2cocn2)[n-]c1=O ZINC000670370165 488106616 /nfs/dbraw/zinc/10/66/16/488106616.db2.gz GZBKNOCZHRLQSH-OWOJBTEDSA-N -2 3 233.183 1.039 20 0 BDADHL O=c1[n-]c(-c2ccncn2)nc2ccc([O-])cc21 ZINC000436752830 537919246 /nfs/dbraw/zinc/91/92/46/537919246.db2.gz YRLHONNFRYXZFQ-UHFFFAOYSA-N -2 3 240.222 1.498 20 0 BDADHL O=C([N-]OC1CCC1)c1c(F)ccc([O-])c1F ZINC000812793724 586585703 /nfs/dbraw/zinc/58/57/03/586585703.db2.gz BZHYPBBQYNTIQP-UHFFFAOYSA-N -2 3 243.209 1.884 20 0 BDADHL CCc1cccc(C(=O)N[C@@H](C)C(=O)[O-])c1[O-] ZINC000820485839 587051090 /nfs/dbraw/zinc/05/10/90/587051090.db2.gz SKOZOYAHVNYZJV-ZETCQYMHSA-N -2 3 237.255 1.158 20 0 BDADHL C/C(=C/COC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000825780908 587338816 /nfs/dbraw/zinc/33/88/16/587338816.db2.gz KOQIPFBZELSTMC-VURMDHGXSA-N -2 3 236.223 1.580 20 0 BDADHL O=C([O-])NCCC(=O)Nc1cc(F)ccc1[O-] ZINC000832599214 587668585 /nfs/dbraw/zinc/66/85/85/587668585.db2.gz GIGMXNLMNPUTMK-UHFFFAOYSA-N -2 3 242.206 1.128 20 0 BDADHL O=C([O-])N1CCCN1C(=O)c1ccccc1[O-] ZINC000834111748 587746035 /nfs/dbraw/zinc/74/60/35/587746035.db2.gz OICWIVVNIPJQNT-UHFFFAOYSA-N -2 3 236.227 1.133 20 0 BDADHL C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000143984640 597494130 /nfs/dbraw/zinc/49/41/30/597494130.db2.gz TZIOBDNPCHBWRF-ZCFIWIBFSA-N -2 3 210.185 1.022 20 0 BDADHL Cc1cc(=O)[n-]c(CS[C@H](C)CC(=O)[O-])n1 ZINC000700429290 601588368 /nfs/dbraw/zinc/58/83/68/601588368.db2.gz SICIUOANYBEMCI-SSDOTTSWSA-N -2 3 242.300 1.587 20 0 BDADHL O=C([N-]OC1CCC1)c1cnc(C2CC2)[n-]c1=O ZINC000908569077 639019767 /nfs/dbraw/zinc/01/97/67/639019767.db2.gz LXENYSBANIPRBG-UHFFFAOYSA-N -2 3 249.270 1.274 20 0 BDADHL CCO[N-]C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000911798371 639818637 /nfs/dbraw/zinc/81/86/37/639818637.db2.gz FHYGAXCAPZJQBG-UHFFFAOYSA-N -2 3 229.276 1.335 20 0 BDADHL C[C@@H](CC(=O)[O-])CC(=O)[N-]OC1CCCCC1 ZINC000911806263 639828364 /nfs/dbraw/zinc/82/83/64/639828364.db2.gz RPZSTOVOGQRAJI-SECBINFHSA-N -2 3 243.303 1.868 20 0 BDADHL COc1cc(/C=C(/C#N)C(=O)[O-])cc(OC)c1[O-] ZINC000063291477 641161323 /nfs/dbraw/zinc/16/13/23/641161323.db2.gz NDBVLMVMOJCWHU-BAQGIRSFSA-N -2 3 249.222 1.401 20 0 BDADHL C[C@@H](OCCP(=O)([O-])[O-])C(F)(F)F ZINC001224606093 964801917 /nfs/dbraw/zinc/80/19/17/964801917.db2.gz LYJIAZRBROWSKY-SCSAIBSYSA-N -2 3 222.099 1.132 20 0 BDADHL CCCC[C@@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227565959 975544752 /nfs/dbraw/zinc/54/47/52/975544752.db2.gz DIWNRFKBZWALHB-ZCFIWIBFSA-N -2 3 213.237 1.240 20 0 BDADHL O=C([O-])CC1(C(=O)[N-]OCC2CC2)CCC1 ZINC001594976742 977899940 /nfs/dbraw/zinc/89/99/40/977899940.db2.gz KDDWMABFYPSEGH-UHFFFAOYSA-N -2 3 227.260 1.089 20 0 BDADHL O=C([O-])CCCO[N-]C(=O)CCCC1CC1 ZINC001601995072 978879825 /nfs/dbraw/zinc/87/98/25/978879825.db2.gz LKJGSSOMQHJSJP-UHFFFAOYSA-N -2 3 229.276 1.479 20 0 BDADHL C=CS(=O)(=O)[N-]c1c([O-])cc(F)cc1F ZINC001198603184 982790677 /nfs/dbraw/zinc/79/06/77/982790677.db2.gz VOLPLPSEVWIVBD-UHFFFAOYSA-N -2 3 235.211 1.556 20 0 BDADHL CC1(C)[C@@H]2C[C@@H](OCCP(=O)([O-])[O-])C[C@@H]21 ZINC001224602029 973787742 /nfs/dbraw/zinc/78/77/42/973787742.db2.gz NGVTXBKAGZDISB-PSVAKVPMSA-N -2 3 234.232 1.615 20 0 BDADHL O=P([O-])([O-])CCOC1CCC(F)(F)CC1 ZINC001224605320 973795495 /nfs/dbraw/zinc/79/54/95/973795495.db2.gz HNSIECMZWHBGDJ-UHFFFAOYSA-N -2 3 244.174 1.759 20 0 BDADHL C[C@H](OCCCCP(=O)([O-])[O-])C1CC1 ZINC001225023045 974146962 /nfs/dbraw/zinc/14/69/62/974146962.db2.gz SVOVJQJTSLSNRX-QMMMGPOBSA-N -2 3 222.221 1.759 20 0 BDADHL CC[C@H](COC)OCCCCP(=O)([O-])[O-] ZINC001225023144 974149919 /nfs/dbraw/zinc/14/99/19/974149919.db2.gz VJWPKLZQJQDPSQ-SECBINFHSA-N -2 3 240.236 1.386 20 0 BDADHL O=C([O-])[C@H]1CCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000085321946 957891132 /nfs/dbraw/zinc/89/11/32/957891132.db2.gz XGITXXGGDBWBII-WPRPVWTQSA-N -2 3 249.266 1.375 20 0 BDADHL C[C@@H]1CCC[C@@H](C)C1Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569624 963537222 /nfs/dbraw/zinc/53/72/22/963537222.db2.gz DIJXUPBPPXEAJO-RNFRBKRXSA-N -2 3 239.275 1.486 20 0 BDADHL CCC[C@@H](Oc1nc(=O)[n-]c(=O)[n-]1)[C@H](C)CC ZINC001227570657 963537949 /nfs/dbraw/zinc/53/79/49/963537949.db2.gz MTBBNEXZYZZHFU-HTQZYQBOSA-N -2 3 241.291 1.876 20 0 BDADHL CO[C@H]1CCCC[C@@H]1OCCP(=O)([O-])[O-] ZINC001224600846 964801265 /nfs/dbraw/zinc/80/12/65/964801265.db2.gz AAYDLEJNOXMSPB-IUCAKERBSA-N -2 3 238.220 1.138 20 0 BDADHL O=C([O-])c1cncc(-c2ccc([O-])cc2F)n1 ZINC001206030215 967993098 /nfs/dbraw/zinc/99/30/98/967993098.db2.gz PZBKRHPUSLYHQJ-UHFFFAOYSA-N -2 3 234.186 1.687 20 0 BDADHL O=C([O-])c1ccc([N-]c2nonc2C2CC2)cn1 ZINC001210174330 969820479 /nfs/dbraw/zinc/82/04/79/969820479.db2.gz NCBNEOZLRCPPIP-UHFFFAOYSA-N -2 3 246.226 1.784 20 0 BDADHL Cc1nc(O[C@@H](C)C2=CC=C[CH]2)cc(=O)[n-]1 ZINC001226509736 974932275 /nfs/dbraw/zinc/93/22/75/974932275.db2.gz CSLPFLCKNCXQKX-QMMMGPOBSA-N -2 3 217.248 1.958 20 0 BDADHL C[C@@H]1CCCC[C@@H]1Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227568598 975556659 /nfs/dbraw/zinc/55/66/59/975556659.db2.gz PDHZMPLCBCOVDH-RQJHMYQMSA-N -2 3 225.248 1.240 20 0 BDADHL C[C@H]1CCCC[C@H]1Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227568596 975557335 /nfs/dbraw/zinc/55/73/35/975557335.db2.gz PDHZMPLCBCOVDH-NKWVEPMBSA-N -2 3 225.248 1.240 20 0 BDADHL Cc1ccc([C@@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)cc1 ZINC001227571510 975564708 /nfs/dbraw/zinc/56/47/08/975564708.db2.gz VJERNOKXAKAIPR-MRVPVSSYSA-N -2 3 247.254 1.731 20 0 BDADHL Cc1ccc(C(=O)[O-])cc1[N-]c1nnco1 ZINC001174981094 977218311 /nfs/dbraw/zinc/21/83/11/977218311.db2.gz DWBVVHDEVOOXLC-UHFFFAOYSA-N -2 3 219.200 1.820 20 0 BDADHL CSCCO[N-]C(=O)C1(CC(=O)[O-])CCC1 ZINC001594186415 977542386 /nfs/dbraw/zinc/54/23/86/977542386.db2.gz MCIBCRDSQZGRCQ-UHFFFAOYSA-N -2 3 247.316 1.042 20 0 BDADHL Cc1cc(=O)[n-]c(N[C@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC001600286425 978685912 /nfs/dbraw/zinc/68/59/12/978685912.db2.gz YYCPBDFSKKWXSU-SFYZADRCSA-N -2 3 237.259 1.156 20 0 BDADHL C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233935438 978736798 /nfs/dbraw/zinc/73/67/98/978736798.db2.gz SLVDCKJZOMSMLK-XPUUQOCRSA-N -2 3 234.259 1.214 20 0 BDADHL O=C([O-])[C@H]([N-]C(=O)C(F)F)c1ccccc1F ZINC001601400212 978809794 /nfs/dbraw/zinc/80/97/94/978809794.db2.gz WYTVZPVWVZVBBN-SSDOTTSWSA-N -2 3 247.172 1.333 20 0 BDADHL CC1(C(=O)[N-]OCCCC(=O)[O-])CC=CC1 ZINC001604488565 979663890 /nfs/dbraw/zinc/66/38/90/979663890.db2.gz XIPGYAUIBOESKM-UHFFFAOYSA-N -2 3 227.260 1.255 20 0 BDADHL CC[C@H](C)CO[N-]C(=O)CCSCC(=O)[O-] ZINC001604955909 979783233 /nfs/dbraw/zinc/78/32/33/979783233.db2.gz MQPDQIQWBRBJRW-QMMMGPOBSA-N -2 3 249.332 1.288 20 0 BDADHL O=C(Nc1c[n-][nH]c1=O)c1ccc([O-])c(F)c1 ZINC001183563767 979844898 /nfs/dbraw/zinc/84/48/98/979844898.db2.gz XHUFBJSODBROLG-UHFFFAOYSA-N -2 3 237.190 1.212 20 0 BDADHL O=C([N-]c1nnco1)c1c(F)ccc([O-])c1F ZINC001192520814 981163858 /nfs/dbraw/zinc/16/38/58/981163858.db2.gz VGACXKMRMIDFGW-UHFFFAOYSA-N -2 3 241.153 1.306 20 0 BDADHL CC[C@H](C)CO[N-]C(=O)[C@@H](C)CC(=O)[O-] ZINC001594964088 982716629 /nfs/dbraw/zinc/71/66/29/982716629.db2.gz CVGLAHGFCHNLBR-YUMQZZPRSA-N -2 3 217.265 1.191 20 0 BDADHL CC[C@@H](C)CON=c1cc(-c2nn[n-]n2)nc[n-]1 ZINC001590411269 982937303 /nfs/dbraw/zinc/93/73/03/982937303.db2.gz YMBVKQGHZOZHKP-SSDOTTSWSA-N -2 3 249.278 1.046 20 0 BDADHL CC[C@@H](C)CON=c1cc(-c2nnn[n-]2)nc[n-]1 ZINC001590411269 982937310 /nfs/dbraw/zinc/93/73/10/982937310.db2.gz YMBVKQGHZOZHKP-SSDOTTSWSA-N -2 3 249.278 1.046 20 0 BDADHL C[C@H](C/N=C/c1ccccc1[O-])C(=O)[O-] ZINC000238429276 343257084 /nfs/dbraw/zinc/25/70/84/343257084.db2.gz ZXEMMASISXHLKG-LQGZHCLWSA-N -2 3 207.229 1.532 20 0 BDADHL CC[C@H](C(=O)[O-])[S@@](=O)c1cccc([O-])c1 ZINC000590900932 347584901 /nfs/dbraw/zinc/58/49/01/347584901.db2.gz OZBGPZIQQMNVGK-PSLIRLAXSA-N -2 3 228.269 1.363 20 0 BDADHL Cc1ccc(C(=O)N[C@H](C(=O)[O-])C2CC2)c([O-])c1 ZINC000054500457 384843350 /nfs/dbraw/zinc/84/33/50/384843350.db2.gz OYWHJDCRDIXZAI-NSHDSACASA-N -2 3 249.266 1.294 20 0 BDADHL Cc1ccc(NC(=O)C(C)(C)C(=O)[O-])c([O-])c1 ZINC000647737344 385892377 /nfs/dbraw/zinc/89/23/77/385892377.db2.gz NGYTWITWAWCZDG-UHFFFAOYSA-N -2 3 237.255 1.750 20 0 BDADHL C[C@]1(C(=O)[O-])CCN(C(=O)c2ccccc2[O-])C1 ZINC000062912629 386533302 /nfs/dbraw/zinc/53/33/02/386533302.db2.gz FXKSNEABSZSQFQ-ZDUSSCGKSA-N -2 3 249.266 1.329 20 0 BDADHL CCC[C@H](C(=O)N=c1ccc([O-])n[n-]1)C(C)C ZINC000410715127 386542385 /nfs/dbraw/zinc/54/23/85/386542385.db2.gz DFQOJSRHEKDUEZ-VIFPVBQESA-N -2 3 237.303 1.615 20 0 BDADHL COCCS(=O)(=O)[N-]c1c(C)cccc1[O-] ZINC000042809685 174372872 /nfs/dbraw/zinc/37/28/72/174372872.db2.gz ADZPKCNNWSUHGD-UHFFFAOYSA-N -2 3 245.300 1.089 20 0 BDADHL O=C(N=c1ccc([O-])n[n-]1)C1(C2CCC2)CCC1 ZINC000562695365 323028114 /nfs/dbraw/zinc/02/81/14/323028114.db2.gz VBSXSUIWDBZLGK-UHFFFAOYSA-N -2 3 247.298 1.513 20 0 BDADHL Cc1ccc(C=CC(=O)N=c2ccc([O-])n[n-]2)o1 ZINC000492657109 534249464 /nfs/dbraw/zinc/24/94/64/534249464.db2.gz WTOYUZFQYIHQHR-XQRVVYSFSA-N -2 3 245.238 1.157 20 0 BDADHL Cc1ccc(C(=O)[O-])cc1NC(=O)c1nc[n-]n1 ZINC000110986498 588714625 /nfs/dbraw/zinc/71/46/25/588714625.db2.gz GBUCRGLLQUKNCF-UHFFFAOYSA-N -2 3 246.226 1.064 20 0 BDADHL C[C@@H](CC(=O)Nc1ccccc1[O-])NC(=O)[O-] ZINC000824703814 587283475 /nfs/dbraw/zinc/28/34/75/587283475.db2.gz RYOVAAUNDYBRDH-ZETCQYMHSA-N -2 3 238.243 1.377 20 0 BDADHL Cc1cc(=O)[n-]c([C@H](C)SCC(=O)[O-])n1 ZINC000832899884 587694664 /nfs/dbraw/zinc/69/46/64/587694664.db2.gz TXFRZANIQJBOCN-LURJTMIESA-N -2 3 228.273 1.369 20 0 BDADHL O=C([O-])NCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000833777297 587731182 /nfs/dbraw/zinc/73/11/82/587731182.db2.gz LRXWIMKDOKBTMZ-UHFFFAOYSA-N -2 3 244.634 1.252 20 0 BDADHL O=Cc1cccc(-c2ncc(C(=O)[O-])cc2[O-])c1 ZINC000874972151 590157915 /nfs/dbraw/zinc/15/79/15/590157915.db2.gz OZDFJLPOMMKNKF-UHFFFAOYSA-N -2 3 243.218 1.965 20 0 BDADHL CCCO[N-]C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000911809570 639831566 /nfs/dbraw/zinc/83/15/66/639831566.db2.gz MPIVSPYULNLBPE-UHFFFAOYSA-N -2 3 241.287 1.479 20 0 BDADHL CC(C)(C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000071781253 643576234 /nfs/dbraw/zinc/57/62/34/643576234.db2.gz ABBVZQTXOQBXSN-UHFFFAOYSA-N -2 3 247.272 1.055 20 0 BDADHL C[C@@H]1CCC[C@@H](Oc2nc(=O)[n-]c(=O)[n-]2)C1 ZINC001227566496 963535503 /nfs/dbraw/zinc/53/55/03/963535503.db2.gz GRCVUMRCJLOVMH-RNFRBKRXSA-N -2 3 225.248 1.240 20 0 BDADHL C[C@H](OCCP(=O)([O-])[O-])C1CCC1 ZINC001224605368 973794282 /nfs/dbraw/zinc/79/42/82/973794282.db2.gz IEEBIMPWMLNKAE-ZETCQYMHSA-N -2 3 208.194 1.369 20 0 BDADHL O=P([O-])([O-])CCCCO[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001225018877 974148799 /nfs/dbraw/zinc/14/87/99/974148799.db2.gz KPGHGNROGHSXOV-AXFHLTTASA-N -2 3 246.243 1.926 20 0 BDADHL CC[C@H](CNC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000087483602 949075236 /nfs/dbraw/zinc/07/52/36/949075236.db2.gz AZNSNFAJFGGTMO-MRVPVSSYSA-N -2 3 237.255 1.233 20 0 BDADHL O=P([O-])([O-])CCO[C@@H]1CCCC[C@H]1F ZINC001224603330 964797808 /nfs/dbraw/zinc/79/78/08/964797808.db2.gz XSFJIMULPGXYEY-HTQZYQBOSA-N -2 3 226.184 1.461 20 0 BDADHL Nc1nonc1[N-]c1c(F)ccc([O-])c1Cl ZINC001250228242 967537181 /nfs/dbraw/zinc/53/71/81/967537181.db2.gz SDIVDZSCLLKZJE-UHFFFAOYSA-N -2 3 244.613 1.894 20 0 BDADHL CCC1CCC(Oc2nc(=O)[n-]c(=O)[n-]2)CC1 ZINC001227569717 975551915 /nfs/dbraw/zinc/55/19/15/975551915.db2.gz FQRSJSQJUIOUQA-UHFFFAOYSA-N -2 3 239.275 1.630 20 0 BDADHL CCC[C@@H](CC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227568539 975556983 /nfs/dbraw/zinc/55/69/83/975556983.db2.gz NRYGRNPJXXCYCQ-ZCFIWIBFSA-N -2 3 213.237 1.240 20 0 BDADHL C[C@@H](Oc1nc(=O)[n-]c(=O)[n-]1)c1ccco1 ZINC001227571652 975564974 /nfs/dbraw/zinc/56/49/74/975564974.db2.gz XQNJKRFAGSJOGH-RXMQYKEDSA-N -2 3 223.188 1.016 20 0 BDADHL Cc1ncc(Nc2cncc(C(=O)[O-])c2)c(=O)[n-]1 ZINC001175841226 977756830 /nfs/dbraw/zinc/75/68/30/977756830.db2.gz UREZLTDMHRAPAF-UHFFFAOYSA-N -2 3 246.226 1.327 20 0 BDADHL Cc1cccc([O-])c1C(=O)N[C@H](C)/C=C\C(=O)[O-] ZINC001600542877 978702459 /nfs/dbraw/zinc/70/24/59/978702459.db2.gz SVLGEGBELQFURZ-ATJFRQLMSA-N -2 3 249.266 1.460 20 0 BDADHL O=S(=O)([N-][C@@H]1[CH]CC=C1)c1ccco1 ZINC001186884622 980451356 /nfs/dbraw/zinc/45/13/56/980451356.db2.gz GNIBYZFIRDILLB-QMMMGPOBSA-N -2 3 212.250 1.091 20 0 BDADHL Cc1ccc([O-])c(C(=O)Nc2ncccc2[O-])n1 ZINC001195318145 982200604 /nfs/dbraw/zinc/20/06/04/982200604.db2.gz IVYIGPGAZYUVDO-UHFFFAOYSA-N -2 3 245.238 1.449 20 0 BDADHL O=S(=O)(N[C@H]1[CH]CC=C1)c1ccc([O-])cc1 ZINC001195835949 982365701 /nfs/dbraw/zinc/36/57/01/982365701.db2.gz QLBBACRUFXSREU-SECBINFHSA-N -2 3 238.288 1.203 20 0 BDADHL CC[C@@H](C)CO[N-]C(=O)[C@H](C)CC(=O)[O-] ZINC001594964082 982716812 /nfs/dbraw/zinc/71/68/12/982716812.db2.gz CVGLAHGFCHNLBR-HTQZYQBOSA-N -2 3 217.265 1.191 20 0 BDADHL Cc1cc(-c2cncc(C(=O)[O-])n2)cc([O-])c1F ZINC001244506304 986207078 /nfs/dbraw/zinc/20/70/78/986207078.db2.gz LUFSBONIDWTKNJ-UHFFFAOYSA-N -2 3 248.213 1.995 20 0 BDADHL CC[C@@H](CC(C)C)C(=O)N=c1ccc([O-])n[n-]1 ZINC000410720496 191146821 /nfs/dbraw/zinc/14/68/21/191146821.db2.gz SETCSISALXSTRL-VIFPVBQESA-N -2 3 237.303 1.615 20 0 BDADHL C[C@@H]1CCC[C@]1(C)C(=O)N=c1ccc([O-])n[n-]1 ZINC000410717615 191146960 /nfs/dbraw/zinc/14/69/60/191146960.db2.gz JZOZBTUFIFFSKW-PELKAZGASA-N -2 3 235.287 1.369 20 0 BDADHL CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000584716610 358159842 /nfs/dbraw/zinc/15/98/42/358159842.db2.gz GYFVYZYLRFSKLG-LURJTMIESA-N -2 3 247.272 1.055 20 0 BDADHL C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccccc2[O-])C1 ZINC000062912630 386531300 /nfs/dbraw/zinc/53/13/00/386531300.db2.gz FXKSNEABSZSQFQ-CYBMUJFWSA-N -2 3 249.266 1.329 20 0 BDADHL CC[C@@H]([N-]c1nc(C(C)C)no1)C(=O)[O-] ZINC000668159592 488210576 /nfs/dbraw/zinc/21/05/76/488210576.db2.gz ORJKWIXTNLXGTQ-ZCFIWIBFSA-N -2 3 213.237 1.468 20 0 BDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)C1=CCCCC1 ZINC000898755154 584157063 /nfs/dbraw/zinc/15/70/63/584157063.db2.gz NBJGBKHLAXYUAW-UHFFFAOYSA-N -2 3 249.270 1.004 20 0 BDADHL CC(C)(C)C(=O)[N-]OCc1cc(C(=O)[O-])co1 ZINC000736240634 584993994 /nfs/dbraw/zinc/99/39/94/584993994.db2.gz HCAIRMGERBIBKL-UHFFFAOYSA-N -2 3 241.243 1.572 20 0 BDADHL O=C([N-]OC1CCC1)C(=O)c1ccc([O-])cc1 ZINC000812792419 586585678 /nfs/dbraw/zinc/58/56/78/586585678.db2.gz ZFPCQABQXAUQGP-UHFFFAOYSA-N -2 3 235.239 1.175 20 0 BDADHL CO[N-]C(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1 ZINC000829061329 587481061 /nfs/dbraw/zinc/48/10/61/587481061.db2.gz LKRWSZRZHGTVJT-QMMMGPOBSA-N -2 3 244.291 1.080 20 0 BDADHL O=C([O-])c1cc(C=Cc2nccc(=O)[n-]2)c[nH]1 ZINC000833298544 587705320 /nfs/dbraw/zinc/70/53/20/587705320.db2.gz YZMKGHJYZKNRIE-OWOJBTEDSA-N -2 3 231.211 1.379 20 0 BDADHL Cc1c(C(=O)[O-])csc1[N-]S(C)(=O)=O ZINC000833741687 587730266 /nfs/dbraw/zinc/73/02/66/587730266.db2.gz ULEGBGKVSVNWDR-UHFFFAOYSA-N -2 3 235.286 1.126 20 0 BDADHL CCCO[N-]C(=O)C(=O)c1ccc([O-])cc1 ZINC000844087013 588164846 /nfs/dbraw/zinc/16/48/46/588164846.db2.gz DCPKXPWDTPAUCB-UHFFFAOYSA-N -2 3 223.228 1.033 20 0 BDADHL C[C@H](CC(=O)[O-])CC(=O)[N-]OC1CCCCC1 ZINC000911806264 639828166 /nfs/dbraw/zinc/82/81/66/639828166.db2.gz RPZSTOVOGQRAJI-VIFPVBQESA-N -2 3 243.303 1.868 20 0 BDADHL C[C@@H](OCCP(=O)([O-])[O-])C1=CC=C[CH]1 ZINC001224603520 964802017 /nfs/dbraw/zinc/80/20/17/964802017.db2.gz ZNFFDAMRHBBJHN-MRVPVSSYSA-N -3 3 217.181 1.270 20 0 BDADHL O=C([O-])C1CN(Cc2c(F)ccc([O-])c2F)C1 ZINC001594951283 977889407 /nfs/dbraw/zinc/88/94/07/977889407.db2.gz FLYILFASZQSYBZ-UHFFFAOYSA-N -2 3 243.209 1.187 20 0 BDADHL C=CS(=O)(=O)[N-]c1c([O-])cccc1C(C)=O ZINC001198609869 982795428 /nfs/dbraw/zinc/79/54/28/982795428.db2.gz QJMCRMZMTRSKKR-UHFFFAOYSA-N -2 3 241.268 1.480 20 0 BDADHL O=P([O-])([O-])CCO[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001224607795 973793193 /nfs/dbraw/zinc/79/31/93/973793193.db2.gz VRWREIGBBSMCEU-DJLDLDEBSA-N -2 3 220.205 1.369 20 0 BDADHL O=C([O-])CCCC(=O)[N-]OC1CCCC1 ZINC000136882733 949337820 /nfs/dbraw/zinc/33/78/20/949337820.db2.gz HBSJRWOQZBYMBP-UHFFFAOYSA-N -2 3 215.249 1.232 20 0 BDADHL CC[C@@](C)(NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000094220383 958267300 /nfs/dbraw/zinc/26/73/00/958267300.db2.gz LVFKVGUROATKLC-GFCCVEGCSA-N -2 3 237.255 1.375 20 0 BDADHL C[C@@H](CC(=O)[O-])CC(=O)[N-]OC(C)(C)C ZINC000134474946 958837996 /nfs/dbraw/zinc/83/79/96/958837996.db2.gz WARIFCJKYAVOSN-SSDOTTSWSA-N -2 3 217.265 1.334 20 0 BDADHL C[C@H](OCCP(=O)([O-])[O-])c1ncccc1F ZINC001224602280 964801538 /nfs/dbraw/zinc/80/15/38/964801538.db2.gz PGDMGCLMHLQZLW-ZETCQYMHSA-N -2 3 249.178 1.476 20 0 BDADHL CCCC[C@H](C)OCCP(=O)([O-])[O-] ZINC001224603423 973790688 /nfs/dbraw/zinc/79/06/88/973790688.db2.gz YHNDYDDHXQAUSR-QMMMGPOBSA-N -2 3 210.210 1.759 20 0 BDADHL O=P([O-])([O-])CCO[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001224608086 973792773 /nfs/dbraw/zinc/79/27/73/973792773.db2.gz YYPXIFTZWCCUAK-YIZRAAEISA-N -2 3 218.189 1.145 20 0 BDADHL CC[C@@H]1CCCC[C@@H]1Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227566421 975546932 /nfs/dbraw/zinc/54/69/32/975546932.db2.gz GBOVTZYSLDVTQG-SFYZADRCSA-N -2 3 239.275 1.630 20 0 BDADHL Cc1ccc([C@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)cc1 ZINC001227571511 975559668 /nfs/dbraw/zinc/55/96/68/975559668.db2.gz VJERNOKXAKAIPR-QMMMGPOBSA-N -2 3 247.254 1.731 20 0 BDADHL CCC[C@@H](Oc1nc(=O)[n-]c(=O)[n-]1)C(C)C ZINC001227570851 975562521 /nfs/dbraw/zinc/56/25/21/975562521.db2.gz OLCUPSWAFNHDPB-SSDOTTSWSA-N -2 3 227.264 1.486 20 0 BDADHL C[C@@H]1CC[C@@H](Oc2nc(=O)[n-]c(=O)[n-]2)C[C@@H]1C ZINC001227571392 975565180 /nfs/dbraw/zinc/56/51/80/975565180.db2.gz SZZNNMVFBNVZOT-GJMOJQLCSA-N -2 3 239.275 1.486 20 0 BDADHL O=C([O-])c1cncc([N-]c2nonc2C2CC2)c1 ZINC001175841260 977755650 /nfs/dbraw/zinc/75/56/50/977755650.db2.gz WMVAGSNVSFGPMU-UHFFFAOYSA-N -2 3 246.226 1.784 20 0 BDADHL O=C([O-])CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC001595128957 977964338 /nfs/dbraw/zinc/96/43/38/977964338.db2.gz SHWYPIQFLSGVNG-UHFFFAOYSA-N -2 3 240.284 1.377 20 0 BDADHL Cc1cc(=O)[n-]c(NCc2cc(C(=O)[O-])co2)n1 ZINC001600285336 978687386 /nfs/dbraw/zinc/68/73/86/978687386.db2.gz KKSKBLULBHEGBL-UHFFFAOYSA-N -2 3 249.226 1.394 20 0 BDADHL C[C@H]1CCCC[C@@H]1Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233936554 978734946 /nfs/dbraw/zinc/73/49/46/978734946.db2.gz YNLGNGCETBWKQK-CBAPKCEASA-N -2 3 248.286 1.604 20 0 BDADHL C[C@H]1CC[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)CC1 ZINC001233939610 978737780 /nfs/dbraw/zinc/73/77/80/978737780.db2.gz LUNYZRRGNIQZJM-OCAPTIKFSA-N -2 3 248.286 1.604 20 0 BDADHL O=C([O-])C1(COC(=O)c2cc3occc3[n-]2)CC1 ZINC001602613416 979144437 /nfs/dbraw/zinc/14/44/37/979144437.db2.gz UVZJNUALKZCHGN-UHFFFAOYSA-N -2 3 249.222 1.783 20 0 BDADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccoc1 ZINC001188570279 980662616 /nfs/dbraw/zinc/66/26/16/980662616.db2.gz CCNGJNJZMPPYHH-UHFFFAOYSA-N -2 3 240.240 1.181 20 0 BDADHL CC(C)O[N-]C(=O)C1(CC(=O)[O-])CCC1 ZINC001588935239 982533391 /nfs/dbraw/zinc/53/33/91/982533391.db2.gz QSKZWLWGEAFHCG-UHFFFAOYSA-N -2 3 215.249 1.088 20 0 BDADHL O=C([O-])c1cncc(-c2cccc([O-])c2F)n1 ZINC001243541028 985072260 /nfs/dbraw/zinc/07/22/60/985072260.db2.gz CFAHLMPNSFBBSZ-UHFFFAOYSA-N -2 3 234.186 1.687 20 0 BDADHL O=c1cc(-c2ccco2)[n-]n1-c1cc(=O)[n-]cn1 ZINC001245917019 987150183 /nfs/dbraw/zinc/15/01/83/987150183.db2.gz DFVMWSFGIXTTBP-UHFFFAOYSA-N -2 3 244.210 1.334 20 0 BDADHL O=C(Nc1ncccc1[O-])c1ncccc1[O-] ZINC000128420231 343842368 /nfs/dbraw/zinc/84/23/68/343842368.db2.gz SPUYMULZKPMVAG-UHFFFAOYSA-N -2 3 231.211 1.140 20 0 BDADHL Cc1ccc(NC(=O)C2CC(C(=O)[O-])C2)c([O-])c1 ZINC000634816501 344407218 /nfs/dbraw/zinc/40/72/18/344407218.db2.gz RRTSOYBFLDHHQD-UHFFFAOYSA-N -2 3 249.266 1.750 20 0 BDADHL Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1[O-] ZINC000019519770 179008986 /nfs/dbraw/zinc/00/89/86/179008986.db2.gz OSXOLMQEEFUJBQ-SNVBAGLBSA-N -2 3 249.266 1.390 20 0 BDADHL CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000021013313 357946174 /nfs/dbraw/zinc/94/61/74/357946174.db2.gz JOFRZPFJNBTOBH-UHFFFAOYSA-N -2 3 249.313 1.135 20 0 BDADHL O=C([N-]c1cnns1)C(=O)c1ccc([O-])cc1 ZINC000436563516 201331874 /nfs/dbraw/zinc/33/18/74/201331874.db2.gz NHZMDPUKWJALAB-UHFFFAOYSA-N -2 3 249.251 1.065 20 0 BDADHL CCC[C@@H](NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000036831279 169398236 /nfs/dbraw/zinc/39/82/36/169398236.db2.gz LJLHRXLFKVDORU-SECBINFHSA-N -2 3 237.255 1.375 20 0 BDADHL O=S(=O)([N-]c1cc(Cl)ccc1[O-])C1CC1 ZINC000070909220 383957440 /nfs/dbraw/zinc/95/74/40/383957440.db2.gz RLIJAWZYQNLHOD-UHFFFAOYSA-N -2 3 247.703 1.950 20 0 BDADHL O=C([O-])c1cc([O-])cnc1Br ZINC000084312953 384858935 /nfs/dbraw/zinc/85/89/35/384858935.db2.gz MDNQBDMKYCHDRI-UHFFFAOYSA-N -2 3 218.006 1.248 20 0 BDADHL C[C@H]1CC[C@H](C(=O)N=c2ccc([O-])n[n-]2)CC1 ZINC000519607091 386504568 /nfs/dbraw/zinc/50/45/68/386504568.db2.gz MUHYIGUHMFPVBG-KYZUINATSA-N -2 3 235.287 1.369 20 0 BDADHL C[C@@H]1CCCC[C@H]1C(=O)N=c1ccc([O-])n[n-]1 ZINC000425559387 386633449 /nfs/dbraw/zinc/63/34/49/386633449.db2.gz GSSLFEFXNAEFJF-RKDXNWHRSA-N -2 3 235.287 1.369 20 0 BDADHL CCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000034972480 388803287 /nfs/dbraw/zinc/80/32/87/388803287.db2.gz PXDMYMXMPOSALS-UHFFFAOYSA-N -2 3 247.272 1.056 20 0 BDADHL Cc1ccc(-c2noc([N-][C@@H](C)C(=O)[O-])n2)cc1 ZINC000263414947 135352831 /nfs/dbraw/zinc/35/28/31/135352831.db2.gz NQKCYLUUTDTIEH-QMMMGPOBSA-N -2 3 247.254 1.930 20 0 BDADHL C[C@H](C(=O)[O-])C(=O)N1CCCc2cccc([O-])c21 ZINC000263542681 135358909 /nfs/dbraw/zinc/35/89/09/135358909.db2.gz DUYDNXJSJSZZKA-QMMMGPOBSA-N -2 3 249.266 1.392 20 0 BDADHL O=C([O-])CN(C(=O)c1ccccc1[O-])C1CCC1 ZINC000655588364 411165085 /nfs/dbraw/zinc/16/50/85/411165085.db2.gz FFMAZAAVZQDOIV-UHFFFAOYSA-N -2 3 249.266 1.472 20 0 BDADHL C[C@H]1CN(C(=O)c2cccc([O-])c2)C[C@H]1C(=O)[O-] ZINC000104202719 177227993 /nfs/dbraw/zinc/22/79/93/177227993.db2.gz XMVALSMQQDGBPI-GZMMTYOYSA-N -2 3 249.266 1.185 20 0 BDADHL O=C([O-])CC1(NC(=O)c2ccccc2[O-])CCC1 ZINC000094290467 487521590 /nfs/dbraw/zinc/52/15/90/487521590.db2.gz KNRQWNHROKNTLL-UHFFFAOYSA-N -2 3 249.266 1.519 20 0 BDADHL C[C@H](OC(=O)c1ccc(Cl)cc1[O-])C(=O)[O-] ZINC000737706131 583704264 /nfs/dbraw/zinc/70/42/64/583704264.db2.gz OZZJLBGUAIRGAT-YFKPBYRVSA-N -2 3 244.630 1.676 20 0 BDADHL CO[N-]C(=O)[C@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000829060631 587481223 /nfs/dbraw/zinc/48/12/23/587481223.db2.gz AGFJTUYUUCBDRR-DTWKUNHWSA-N -2 3 244.291 1.271 20 0 BDADHL O=C([O-])C[C@@H](NC(=O)c1cccc([O-])c1)C1CC1 ZINC000137162505 592157454 /nfs/dbraw/zinc/15/74/54/592157454.db2.gz OOAOYAVWAHYIOI-LLVKDONJSA-N -2 3 249.266 1.375 20 0 BDADHL Cc1cc(=O)[n-]c(CS[C@@H](C)CC(=O)[O-])n1 ZINC000700429292 601588271 /nfs/dbraw/zinc/58/82/71/601588271.db2.gz SICIUOANYBEMCI-ZETCQYMHSA-N -2 3 242.300 1.587 20 0 BDADHL C[C@H](CC(=O)[O-])CC(=O)[N-]OC1CCC1 ZINC000911814237 639802367 /nfs/dbraw/zinc/80/23/67/639802367.db2.gz PNBLKYXEDBVMET-ZETCQYMHSA-N -2 3 215.249 1.088 20 0 BDADHL C[C@H](Oc1nc(=O)[n-]c(=O)[n-]1)c1cccs1 ZINC001227566559 975547530 /nfs/dbraw/zinc/54/75/30/975547530.db2.gz HNBJCGCBCKPEKM-YFKPBYRVSA-N -2 3 239.256 1.484 20 0 BDADHL C[C@H]1CCCC[C@@H]1Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227568595 975555682 /nfs/dbraw/zinc/55/56/82/975555682.db2.gz PDHZMPLCBCOVDH-BQBZGAKWSA-N -2 3 225.248 1.240 20 0 BDADHL CC(C)C(Oc1nc(=O)[n-]c(=O)[n-]1)C(C)C ZINC001227571798 975560355 /nfs/dbraw/zinc/56/03/55/975560355.db2.gz YSLUVYXJXNYMJJ-UHFFFAOYSA-N -2 3 227.264 1.342 20 0 BDADHL O=C([O-])CCCO[N-]C(=O)C[C@@H]1C=CCC1 ZINC001601995674 978882299 /nfs/dbraw/zinc/88/22/99/978882299.db2.gz SVDBLBCYBFKYKE-SECBINFHSA-N -2 3 227.260 1.255 20 0 BDADHL O=P([O-])([O-])CCO[C@H]1CC2CCC1CC2 ZINC001224604892 973794480 /nfs/dbraw/zinc/79/44/80/973794480.db2.gz GNZDCVMUTQISJI-RTBKNWGFSA-N -2 3 234.232 1.759 20 0 BDADHL CCS(=O)(=O)[N-]c1cccc(F)c1[O-] ZINC000707902433 967936176 /nfs/dbraw/zinc/93/61/76/967936176.db2.gz FODHIEZWLWWDLU-UHFFFAOYSA-N -2 3 219.237 1.293 20 0 BDADHL O=C([O-])c1ccc(Nc2cnc[n-]c2=O)cn1 ZINC001210173738 969820214 /nfs/dbraw/zinc/82/02/14/969820214.db2.gz DLAODPVDMPDRFV-UHFFFAOYSA-N -2 3 232.199 1.019 20 0 BDADHL CC[C@H](C)[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224600887 973786030 /nfs/dbraw/zinc/78/60/30/973786030.db2.gz BLPUNHFIBJPSRL-JGVFFNPUSA-N -2 3 210.210 1.615 20 0 BDADHL CC(C)C[C@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569349 975552530 /nfs/dbraw/zinc/55/25/30/975552530.db2.gz ZUTAMNXZJIXFCP-LURJTMIESA-N -2 3 213.237 1.096 20 0 BDADHL O=c1nc(OC2CCCCCCC2)[n-]c(=O)[n-]1 ZINC001227569661 975555377 /nfs/dbraw/zinc/55/53/77/975555377.db2.gz DSXOFBSHDASHNE-UHFFFAOYSA-N -2 3 239.275 1.775 20 0 BDADHL CC[C@H](C)C[C@H](CC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571489 975562723 /nfs/dbraw/zinc/56/27/23/975562723.db2.gz UUMZNZHTKLVUND-YUMQZZPRSA-N -2 3 241.291 1.876 20 0 BDADHL Nc1nonc1[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC001175215691 977331202 /nfs/dbraw/zinc/33/12/02/977331202.db2.gz QKWAGNGUWRNFMA-UHFFFAOYSA-N -2 3 238.178 1.233 20 0 BDADHL C[C@H]1CC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233939062 978735054 /nfs/dbraw/zinc/73/50/54/978735054.db2.gz GVXVROZHDLYALL-BQBZGAKWSA-N -2 3 234.259 1.214 20 0 BDADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)C1CCC1 ZINC001233933582 978735618 /nfs/dbraw/zinc/73/56/18/978735618.db2.gz DDTCDQZPHURYOK-ZCFIWIBFSA-N -2 3 234.259 1.214 20 0 BDADHL CC(C)[C@@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233940543 978737306 /nfs/dbraw/zinc/73/73/06/978737306.db2.gz XQPVJUOBUJPKRX-ZCFIWIBFSA-N -2 3 222.248 1.070 20 0 BDADHL O=C([O-])C12CC(C(=O)[N-]OC/C=C/Cl)(C1)C2 ZINC001601728721 978840291 /nfs/dbraw/zinc/84/02/91/978840291.db2.gz NOASBMGQPDKVKZ-OWOJBTEDSA-N -2 3 245.662 1.042 20 0 BDADHL C[C@@H](C(=O)[O-])C(=O)Nc1cc(Cl)ccc1[O-] ZINC001602806330 979247408 /nfs/dbraw/zinc/24/74/08/979247408.db2.gz HZMGHZQLEWGEQO-RXMQYKEDSA-N -2 3 243.646 1.705 20 0 BDADHL CCC(CC)CC(=O)[N-]OCCCC(=O)[O-] ZINC001595109888 979448328 /nfs/dbraw/zinc/44/83/28/979448328.db2.gz QKLLZWZBLWHNHU-UHFFFAOYSA-N -2 3 231.292 1.725 20 0 BDADHL Cc1ccc(-c2nc(CC(=O)[O-])no2)c([O-])c1 ZINC001605238026 979843543 /nfs/dbraw/zinc/84/35/43/979843543.db2.gz XALNGYOSHVTUAC-UHFFFAOYSA-N -2 3 234.211 1.378 20 0 BDADHL N#C[N-]C(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188588355 980673054 /nfs/dbraw/zinc/67/30/54/980673054.db2.gz OVAVTRKJWXXNMR-UHFFFAOYSA-N -2 3 230.145 1.622 20 0 BDADHL CC[C@H](C)CCC(=O)[N-]OCCCC(=O)[O-] ZINC001594957454 982692631 /nfs/dbraw/zinc/69/26/31/982692631.db2.gz MAPBDUOOWHJMOX-VIFPVBQESA-N -2 3 231.292 1.725 20 0 BDADHL C[C@H](OC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001593536911 995598569 /nfs/dbraw/zinc/59/85/69/995598569.db2.gz BJNBAFYDGPJWDN-LURJTMIESA-N -2 3 242.202 1.090 20 0 BDADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1C[C@@H]1C1CCCC1 ZINC000649935058 398190335 /nfs/dbraw/zinc/19/03/35/398190335.db2.gz MFKJDMAEHYPEFQ-ZJUUUORDSA-N -2 3 247.298 1.369 20 0 BDADHL Cc1[n-]n(-c2cn[n-]c(=O)c2Cl)c(=O)c1C ZINC000634587007 342930995 /nfs/dbraw/zinc/93/09/95/342930995.db2.gz BWWTYZJTLCWZER-BYPYZUCNSA-N -2 3 240.650 1.194 20 0 BDADHL Cc1cccc(C(=O)N2CCC[C@H]2C(=O)[O-])c1[O-] ZINC000019519771 179009359 /nfs/dbraw/zinc/00/93/59/179009359.db2.gz OSXOLMQEEFUJBQ-JTQLQIEISA-N -2 3 249.266 1.390 20 0 BDADHL CC[C@@H](CC(F)F)C(=O)N=c1ccc([O-])n[n-]1 ZINC000410720432 191146805 /nfs/dbraw/zinc/14/68/05/191146805.db2.gz RYKCMOBNDDUZPU-LURJTMIESA-N -2 3 245.229 1.224 20 0 BDADHL Cc1coc(C)c1C(=O)N=c1ccc([O-])n[n-]1 ZINC000343709106 353967564 /nfs/dbraw/zinc/96/75/64/353967564.db2.gz CEGXAWXTOCBMOT-UHFFFAOYSA-N -2 3 233.227 1.066 20 0 BDADHL CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000574450974 365060797 /nfs/dbraw/zinc/06/07/97/365060797.db2.gz XUQZYJXVVMHWRE-UHFFFAOYSA-N -2 3 247.272 1.056 20 0 BDADHL O=C(Nc1cccc(Cl)c1[O-])c1nc[n-]n1 ZINC000340318938 182369785 /nfs/dbraw/zinc/36/97/85/182369785.db2.gz ZSBVIAPEMZPDKT-UHFFFAOYSA-N -2 3 238.634 1.416 20 0 BDADHL Cc1ccc([O-])c(C(=O)N(C)[C@@H](C)C(=O)[O-])c1 ZINC000054051012 384818585 /nfs/dbraw/zinc/81/85/85/384818585.db2.gz RFUMBNLIHXFPMA-QMMMGPOBSA-N -2 3 237.255 1.246 20 0 BDADHL CC(C)(CC(F)F)C(=O)N=c1ccc([O-])n[n-]1 ZINC000415465161 386083872 /nfs/dbraw/zinc/08/38/72/386083872.db2.gz OFKLYBXRHXDMAS-UHFFFAOYSA-N -2 3 245.229 1.224 20 0 BDADHL CC(C)CCCCC(=O)N=c1ccc([O-])n[n-]1 ZINC000410716027 386541385 /nfs/dbraw/zinc/54/13/85/386541385.db2.gz GVEPHIFBGNWLGY-UHFFFAOYSA-N -2 3 237.303 1.759 20 0 BDADHL O=C([O-])CCC(=O)N1CCCc2cccc([O-])c21 ZINC000263402897 132177699 /nfs/dbraw/zinc/17/76/99/132177699.db2.gz HAIYYXLYLLBYPE-UHFFFAOYSA-N -2 3 249.266 1.536 20 0 BDADHL C[C@H](C(=O)[O-])N(C(=O)c1ccccc1[O-])C1CC1 ZINC000263370065 135349872 /nfs/dbraw/zinc/34/98/72/135349872.db2.gz XSAHHZBTIRMRQM-MRVPVSSYSA-N -2 3 249.266 1.470 20 0 BDADHL CC[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000034972418 171345379 /nfs/dbraw/zinc/34/53/79/171345379.db2.gz HDSABKUJTKFAHI-LURJTMIESA-N -2 3 247.272 1.055 20 0 BDADHL CC[C@H](C)Sc1nc(=O)[n-]c(C)c1C(=O)[O-] ZINC000037404670 171356944 /nfs/dbraw/zinc/35/69/44/171356944.db2.gz MJWGNNZMNLFRGJ-YFKPBYRVSA-N -2 3 242.300 1.667 20 0 BDADHL Cc1ccc(NC(=O)C2(C(=O)[O-])CCC2)c([O-])c1 ZINC000663038129 412375658 /nfs/dbraw/zinc/37/56/58/412375658.db2.gz MEKWQCHODGGKLW-UHFFFAOYSA-N -2 3 249.266 1.894 20 0 BDADHL O=C([O-])c1cnc(C=Cc2cccnc2)[n-]c1=O ZINC000670370019 488106906 /nfs/dbraw/zinc/10/69/06/488106906.db2.gz QXGDFRNFKOXZMN-ARJAWSKDSA-N -2 3 243.222 1.446 20 0 BDADHL [O-]C(=NOCC1CCC1)N=c1cn[n-]s1 ZINC000822817045 587187612 /nfs/dbraw/zinc/18/76/12/587187612.db2.gz LFKCDEOMQKRUAB-UHFFFAOYSA-N -2 3 228.277 1.391 20 0 BDADHL C[C@@H](NC(=O)[O-])C(=O)Nc1cc(F)ccc1[O-] ZINC000825185750 587308771 /nfs/dbraw/zinc/30/87/71/587308771.db2.gz IFYHYHOKMJGZAY-RXMQYKEDSA-N -2 3 242.206 1.126 20 0 BDADHL CCOC(=O)c1ccc(NC(=O)[O-])c([O-])c1 ZINC000829881750 587527153 /nfs/dbraw/zinc/52/71/53/587527153.db2.gz XVLRFIALCFBYJG-UHFFFAOYSA-N -2 3 225.200 1.659 20 0 BDADHL O=C([O-])NCCCC(=O)[N-]OC1CCCC1 ZINC000834231824 587749516 /nfs/dbraw/zinc/74/95/16/587749516.db2.gz KMHZVWKORNJMSK-UHFFFAOYSA-N -2 3 230.264 1.025 20 0 BDADHL O=C([O-])C1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000022143605 590339693 /nfs/dbraw/zinc/33/96/93/590339693.db2.gz XTXZPINDDAXPCK-UHFFFAOYSA-N -2 3 249.266 1.329 20 0 BDADHL O=C([O-])[C@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000022144472 590340352 /nfs/dbraw/zinc/34/03/52/590340352.db2.gz FCOSSZNBCBYISN-SNVBAGLBSA-N -2 3 235.239 1.081 20 0 BDADHL Cc1cc(=O)[n-]c(CS[C@H](C)C(=O)[O-])n1 ZINC000700429025 597141635 /nfs/dbraw/zinc/14/16/35/597141635.db2.gz PLASRCKJVQVESR-ZCFIWIBFSA-N -2 3 228.273 1.197 20 0 BDADHL Cc1cc(=O)[n-]c(CSC[C@@H](C)C(=O)[O-])n1 ZINC000700427557 602310412 /nfs/dbraw/zinc/31/04/12/602310412.db2.gz CBXQPFGKOMZYNM-ZCFIWIBFSA-N -2 3 242.300 1.445 20 0 BDADHL C[C@@H](CC(=O)[O-])C(=O)[N-]OCCC(F)(F)F ZINC000911805308 639827418 /nfs/dbraw/zinc/82/74/18/639827418.db2.gz MGDVYRQZBUJNBV-YFKPBYRVSA-N -2 3 243.181 1.097 20 0 BDADHL C[C@H]1CCC[C@@]1(C)C(=O)[N-]OCCCC(=O)[O-] ZINC001604727499 979712240 /nfs/dbraw/zinc/71/22/40/979712240.db2.gz VBYWXGJOCCXNPF-JOYOIKCWSA-N -2 3 243.303 1.725 20 0 BDADHL O=P([O-])([O-])CCOC(C1CC1)C1CC1 ZINC001224604528 973796020 /nfs/dbraw/zinc/79/60/20/973796020.db2.gz DEPBXLWWWDHLPU-UHFFFAOYSA-N -2 3 220.205 1.369 20 0 BDADHL Cc1c([N-]c2nonc2N)cccc1C(=O)[O-] ZINC001216656991 971147318 /nfs/dbraw/zinc/14/73/18/971147318.db2.gz OQQHHWZYSWAXPZ-UHFFFAOYSA-N -2 3 234.215 1.402 20 0 BDADHL C[C@@H](OCCCCP(=O)([O-])[O-])C1CC1 ZINC001225023043 974149992 /nfs/dbraw/zinc/14/99/92/974149992.db2.gz SVOVJQJTSLSNRX-MRVPVSSYSA-N -2 3 222.221 1.759 20 0 BDADHL Cc1ncc(Nc2ccc(C(=O)[O-])nc2)c(=O)[n-]1 ZINC001210173766 957652351 /nfs/dbraw/zinc/65/23/51/957652351.db2.gz DVRORCVDYHJGQP-UHFFFAOYSA-N -2 3 246.226 1.327 20 0 BDADHL O=C([O-])[C@H](CC1CC1)NC(=O)c1ccccc1[O-] ZINC000310693270 963425687 /nfs/dbraw/zinc/42/56/87/963425687.db2.gz SFXNUSHKFPOXAY-JTQLQIEISA-N -2 3 249.266 1.375 20 0 BDADHL C[C@@H](OCCP(=O)([O-])[O-])c1ncccc1F ZINC001224602278 964798217 /nfs/dbraw/zinc/79/82/17/964798217.db2.gz PGDMGCLMHLQZLW-SSDOTTSWSA-N -2 3 249.178 1.476 20 0 BDADHL O=C([O-])c1ccc(Nc2cnc[n-]c2=O)c(F)c1 ZINC001203286683 966596818 /nfs/dbraw/zinc/59/68/18/966596818.db2.gz LWBNQTSVULAYGJ-UHFFFAOYSA-N -2 3 249.201 1.763 20 0 BDADHL Cc1ccc([C@@H](C)OCCP(=O)([O-])[O-])cn1 ZINC001224606795 973792554 /nfs/dbraw/zinc/79/25/54/973792554.db2.gz SAXMUJMVQVUVPI-SECBINFHSA-N -2 3 245.215 1.645 20 0 BDADHL CC[C@H](COCCCCP(=O)([O-])[O-])OC ZINC001225018843 974151230 /nfs/dbraw/zinc/15/12/30/974151230.db2.gz JBBNANYKQXUYCZ-SECBINFHSA-N -2 3 240.236 1.386 20 0 BDADHL O=P([O-])([O-])CCCCOC[C@@H]1CCCO1 ZINC001225018918 974151558 /nfs/dbraw/zinc/15/15/58/974151558.db2.gz LRHKBCKXZNGAJV-VIFPVBQESA-N -2 3 238.220 1.140 20 0 BDADHL CC(C)CCC[C@@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569898 975551325 /nfs/dbraw/zinc/55/13/25/975551325.db2.gz GZRMCSNDECJPMD-MRVPVSSYSA-N -2 3 241.291 1.876 20 0 BDADHL O=C([O-])c1ccc(Nc2cnc[n-]c2=O)cc1F ZINC001175160605 977272081 /nfs/dbraw/zinc/27/20/81/977272081.db2.gz HABDKUUDDVVAOK-UHFFFAOYSA-N -2 3 249.201 1.763 20 0 BDADHL Cc1cc(=O)[n-]c(C=Cc2ccoc2C(=O)[O-])n1 ZINC001600286499 978684944 /nfs/dbraw/zinc/68/49/44/978684944.db2.gz LCXQPFDRYMHRME-NSCUHMNNSA-N -2 3 246.222 1.952 20 0 BDADHL Cc1noc([N-]Cc2ncc(C(=O)[O-])s2)n1 ZINC001600814776 978735034 /nfs/dbraw/zinc/73/50/34/978735034.db2.gz FHLJFDXCMBXJRL-UHFFFAOYSA-N -2 3 240.244 1.145 20 0 BDADHL CCc1ccc(C(=O)NCCC(=O)[O-])c([O-])c1 ZINC001605804875 979916432 /nfs/dbraw/zinc/91/64/32/979916432.db2.gz OZHIUSJUNDCJCW-UHFFFAOYSA-N -2 3 237.255 1.159 20 0 BDADHL O=C([O-])/C=C\c1ccc(C(=O)[N-]c2cnoc2)o1 ZINC001608660054 980256264 /nfs/dbraw/zinc/25/62/64/980256264.db2.gz ZCPITDFOTDFTTA-RQOWECAXSA-N -2 3 248.194 1.618 20 0 BDADHL O=S(=O)(N[C@@H]1[CH]CC=C1)c1ccc([O-])cc1 ZINC001195835958 982365941 /nfs/dbraw/zinc/36/59/41/982365941.db2.gz QLBBACRUFXSREU-VIFPVBQESA-N -2 3 238.288 1.203 20 0 BDADHL CC[C@H](C)CON=c1cnc(-c2nn[n-]n2)c[n-]1 ZINC001590410324 982927999 /nfs/dbraw/zinc/92/79/99/982927999.db2.gz QLXZQXNXVXHLOE-ZETCQYMHSA-N -2 3 249.278 1.046 20 0 BDADHL O=C([O-])[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000011639235 342842301 /nfs/dbraw/zinc/84/23/01/342842301.db2.gz VPDNBAKTYVODLO-SNVBAGLBSA-N -2 3 249.266 1.472 20 0 BDADHL Cc1ccc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])c([O-])c1 ZINC000634816727 344407247 /nfs/dbraw/zinc/40/72/47/344407247.db2.gz ZHRJCCQCAPUOQF-YUMQZZPRSA-N -2 3 235.239 1.360 20 0 BDADHL O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000634824445 344665629 /nfs/dbraw/zinc/66/56/29/344665629.db2.gz TYSCCADPYWKWHK-RQJHMYQMSA-N -2 3 239.202 1.191 20 0 BDADHL CC[C@@H]1CCCC[C@H]1C(=O)N=c1ccc([O-])n[n-]1 ZINC000361881131 356938733 /nfs/dbraw/zinc/93/87/33/356938733.db2.gz RMTHBRVVQFORGD-NXEZZACHSA-N -2 3 249.314 1.759 20 0 BDADHL O=C([O-])[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000021952973 360092467 /nfs/dbraw/zinc/09/24/67/360092467.db2.gz ANYKWEBEYLLWLM-JTQLQIEISA-N -2 3 249.266 1.329 20 0 BDADHL O=C([O-])[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000021952971 182509175 /nfs/dbraw/zinc/50/91/75/182509175.db2.gz ANYKWEBEYLLWLM-SNVBAGLBSA-N -2 3 249.266 1.329 20 0 BDADHL O=S(=O)([N-]c1ccccc1[O-])C1CC1 ZINC000070909208 384140846 /nfs/dbraw/zinc/14/08/46/384140846.db2.gz HCNMCECKVZBHSI-UHFFFAOYSA-N -2 3 213.258 1.296 20 0 BDADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1CCC[C@H](F)C1 ZINC000425559659 386634451 /nfs/dbraw/zinc/63/44/51/386634451.db2.gz HKMZNHMATOBAAD-YUMQZZPRSA-N -2 3 239.250 1.071 20 0 BDADHL CCc1n[n-]c([N-]C(=O)c2cc(C3CC3)no2)n1 ZINC000442640671 387809524 /nfs/dbraw/zinc/80/95/24/387809524.db2.gz XTFJGHNJYJVEJF-UHFFFAOYSA-N -2 3 247.258 1.485 20 0 BDADHL COc1nc(NC(=O)c2ccc(C)cc2[O-])n[n-]1 ZINC000127823570 388731543 /nfs/dbraw/zinc/73/15/43/388731543.db2.gz UBGHDJCRJLEDCO-UHFFFAOYSA-N -2 3 248.242 1.080 20 0 BDADHL COc1nnc(NC(=O)c2ccc(C)cc2[O-])[n-]1 ZINC000127823570 388731545 /nfs/dbraw/zinc/73/15/45/388731545.db2.gz UBGHDJCRJLEDCO-UHFFFAOYSA-N -2 3 248.242 1.080 20 0 BDADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccccc1[O-] ZINC000663117412 412386261 /nfs/dbraw/zinc/38/62/61/412386261.db2.gz YAFXPRBHJXYPAR-CYBMUJFWSA-N -2 3 249.266 1.832 20 0 BDADHL CCc1cccc(C(=O)NCCC(=O)[O-])c1[O-] ZINC000818339277 586887220 /nfs/dbraw/zinc/88/72/20/586887220.db2.gz HBCRPWZQUPDBHC-UHFFFAOYSA-N -2 3 237.255 1.159 20 0 BDADHL Cc1cc([O-])ccc1C(=O)O[C@@H](C)C(=O)[O-] ZINC000821046167 587090865 /nfs/dbraw/zinc/09/08/65/587090865.db2.gz WJFFWSOZLRPNNR-ZETCQYMHSA-N -2 3 224.212 1.331 20 0 BDADHL O=C([O-])COC(=O)c1cccc(Cl)c1[O-] ZINC000821535418 587127220 /nfs/dbraw/zinc/12/72/20/587127220.db2.gz LKNGAMUPRGYNCM-UHFFFAOYSA-N -2 3 230.603 1.287 20 0 BDADHL CC(C)CO[N-]C(=O)CC(C)(C)CC(=O)[O-] ZINC000134227459 591903006 /nfs/dbraw/zinc/90/30/06/591903006.db2.gz WYPAOHLWCXEEGI-UHFFFAOYSA-N -2 3 231.292 1.581 20 0 BDADHL Cc1cc(=O)[n-]c(CS[C@@H](C)C(=O)[O-])n1 ZINC000700429023 597141569 /nfs/dbraw/zinc/14/15/69/597141569.db2.gz PLASRCKJVQVESR-LURJTMIESA-N -2 3 228.273 1.197 20 0 BDADHL CCC[C@H](NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000036831277 712502603 /nfs/dbraw/zinc/50/26/03/712502603.db2.gz LJLHRXLFKVDORU-VIFPVBQESA-N -2 3 237.255 1.375 20 0 BDADHL CO[N-]C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000083099189 957820119 /nfs/dbraw/zinc/82/01/19/957820119.db2.gz ZNCOFTRVRYEFTA-UHFFFAOYSA-N -2 3 215.249 1.089 20 0 BDADHL C[C@H](CC(=O)[O-])C(=O)[N-]Oc1ccccc1 ZINC001604094567 979574547 /nfs/dbraw/zinc/57/45/47/979574547.db2.gz AOWNGAUKLFGFQP-MRVPVSSYSA-N -2 3 223.228 1.207 20 0 BDADHL COC(C)(C)C[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224602098 973789280 /nfs/dbraw/zinc/78/92/80/973789280.db2.gz NZXDOLIKBUEWPC-MRVPVSSYSA-N -2 3 240.236 1.384 20 0 BDADHL CCCCOC[C@H](C)OCCP(=O)([O-])[O-] ZINC001224606786 973792931 /nfs/dbraw/zinc/79/29/31/973792931.db2.gz RSUDSUNNQPRMRC-VIFPVBQESA-N -2 3 240.236 1.386 20 0 BDADHL CCOC[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225023561 974144576 /nfs/dbraw/zinc/14/45/76/974144576.db2.gz YNEWNNMDMQQARX-VIFPVBQESA-N -2 3 240.236 1.386 20 0 BDADHL O=P([O-])([O-])CCCCO[C@@H]1C[C@H]2C[C@H]2C1 ZINC001225019270 974149449 /nfs/dbraw/zinc/14/94/49/974149449.db2.gz VKILOZGLRMVWGE-ILWJIGKKSA-N -2 3 234.232 1.759 20 0 BDADHL O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000085321948 957891820 /nfs/dbraw/zinc/89/18/20/957891820.db2.gz XGITXXGGDBWBII-SCZZXKLOSA-N -2 3 249.266 1.375 20 0 BDADHL C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccccc1[O-] ZINC000092914475 958178700 /nfs/dbraw/zinc/17/87/00/958178700.db2.gz NQTCNLRVGMGIFI-IUCAKERBSA-N -2 3 249.266 1.327 20 0 BDADHL O=C([O-])[C@@H]([N-]C(=O)C(F)F)c1cccs1 ZINC000236435879 960597431 /nfs/dbraw/zinc/59/74/31/960597431.db2.gz ZSXQWRGOEKBJKF-YFKPBYRVSA-N -2 3 235.211 1.255 20 0 BDADHL O=P([O-])([O-])CCO[C@@H]1CCc2cccnc21 ZINC001224606252 964801580 /nfs/dbraw/zinc/80/15/80/964801580.db2.gz NGGRLYBXRJOJDU-SECBINFHSA-N -2 3 243.199 1.263 20 0 BDADHL O=C([O-])c1ccc(-c2ccc([O-])cc2F)nn1 ZINC001206044074 968008883 /nfs/dbraw/zinc/00/88/83/968008883.db2.gz CRIHUNBVEVJCSZ-UHFFFAOYSA-N -2 3 234.186 1.687 20 0 BDADHL CC1CCC(Oc2nc(=O)[n-]c(=O)[n-]2)CC1 ZINC001227566047 975546284 /nfs/dbraw/zinc/54/62/84/975546284.db2.gz FCZHAQQJLSRPPL-UHFFFAOYSA-N -2 3 225.248 1.240 20 0 BDADHL O=c1nc(O[C@H]2CCc3ccccc32)[n-]c(=O)[n-]1 ZINC001227565723 975549975 /nfs/dbraw/zinc/54/99/75/975549975.db2.gz BFXUGTYQRPJGEJ-VIFPVBQESA-N -2 3 245.238 1.349 20 0 BDADHL C[C@@H](Oc1nc(=O)[n-]c(=O)[n-]1)c1cccs1 ZINC001227566557 975550751 /nfs/dbraw/zinc/55/07/51/975550751.db2.gz HNBJCGCBCKPEKM-RXMQYKEDSA-N -2 3 239.256 1.484 20 0 BDADHL CCCC[C@H](CC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569345 975555777 /nfs/dbraw/zinc/55/57/77/975555777.db2.gz ZTDOBQQKMPKZNU-ZETCQYMHSA-N -2 3 227.264 1.630 20 0 BDADHL CCC[C@H](Oc1nc(=O)[n-]c(=O)[n-]1)C(C)(C)C ZINC001227569389 975557248 /nfs/dbraw/zinc/55/72/48/975557248.db2.gz ARNJTPMDGFPWHF-ZETCQYMHSA-N -2 3 241.291 1.876 20 0 BDADHL Cc1ccc([C@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)cn1 ZINC001227571495 975561596 /nfs/dbraw/zinc/56/15/96/975561596.db2.gz UXZKDRFNKHMRJY-ZETCQYMHSA-N -2 3 248.242 1.126 20 0 BDADHL C[C@H](Oc1nc(=O)[n-]c(=O)[n-]1)C1CCCC1 ZINC001227571329 975562867 /nfs/dbraw/zinc/56/28/67/975562867.db2.gz RUDCUSDEENROMW-LURJTMIESA-N -2 3 225.248 1.240 20 0 BDADHL O=C([O-])[C@H](OC(=O)c1cc2occc2[n-]1)C1CC1 ZINC001595273391 978011094 /nfs/dbraw/zinc/01/10/94/978011094.db2.gz MTIRMZJBZXQLDM-SNVBAGLBSA-N -2 3 249.222 1.781 20 0 BDADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)C1CCC1 ZINC001233933578 978734139 /nfs/dbraw/zinc/73/41/39/978734139.db2.gz DDTCDQZPHURYOK-LURJTMIESA-N -2 3 234.259 1.214 20 0 BDADHL Cc1nonc1[N-]c1ccc(C(=O)[O-])cc1F ZINC001203286085 980815726 /nfs/dbraw/zinc/81/57/26/980815726.db2.gz FYNVWGTXAWQDLI-UHFFFAOYSA-N -2 3 237.190 1.959 20 0 BDADHL C[C@@H](CC(=O)[O-])CC(=O)Nc1ncccc1[O-] ZINC001592396663 983157376 /nfs/dbraw/zinc/15/73/76/983157376.db2.gz YWUBEVLVFCNIKG-SSDOTTSWSA-N -2 3 238.243 1.227 20 0 BDADHL O=c1cc(C2CCCC2)[n-]n1-c1cc(=O)[n-]cn1 ZINC001245928287 987185114 /nfs/dbraw/zinc/18/51/14/987185114.db2.gz GIJMBJITYUEWHR-UHFFFAOYSA-N -2 3 246.270 1.731 20 0 BDADHL Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000062117595 178397312 /nfs/dbraw/zinc/39/73/12/178397312.db2.gz QUTGDVCQJGPSBK-VIFPVBQESA-N -2 3 249.266 1.247 20 0 BDADHL Cc1ccc(C(=O)NC[C@H](C)C(=O)[O-])c([O-])c1 ZINC000054309687 178413699 /nfs/dbraw/zinc/41/36/99/178413699.db2.gz PAUDPAVVUCIYTQ-QMMMGPOBSA-N -2 3 237.255 1.151 20 0 BDADHL O=C([O-])[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000022146128 343042434 /nfs/dbraw/zinc/04/24/34/343042434.db2.gz YXVYVFMHUHMVNL-SECBINFHSA-N -2 3 249.266 1.329 20 0 BDADHL CC[C@@H](C(=O)[O-])[S@@](=O)c1cccc([O-])c1 ZINC000590900934 347584515 /nfs/dbraw/zinc/58/45/15/347584515.db2.gz OZBGPZIQQMNVGK-VFZGTOFNSA-N -2 3 228.269 1.363 20 0 BDADHL Cc1ccc(C(=O)NC(C)(C)C(=O)[O-])c([O-])c1 ZINC000039135794 188396615 /nfs/dbraw/zinc/39/66/15/188396615.db2.gz ZURSGGFGOCCAHL-UHFFFAOYSA-N -2 3 237.255 1.294 20 0 BDADHL O=S(=O)([N-]c1c([O-])cccc1Cl)C1CC1 ZINC000647918873 385858887 /nfs/dbraw/zinc/85/88/87/385858887.db2.gz AGIFCJRHCQWTLI-UHFFFAOYSA-N -2 3 247.703 1.950 20 0 BDADHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1CCC[C@H](F)C1 ZINC000425559658 386633876 /nfs/dbraw/zinc/63/38/76/386633876.db2.gz HKMZNHMATOBAAD-SFYZADRCSA-N -2 3 239.250 1.071 20 0 BDADHL O=C([O-])C1(C(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000572044589 387221110 /nfs/dbraw/zinc/22/11/10/387221110.db2.gz KEVABSFRNZRJCB-UHFFFAOYSA-N -2 3 239.202 1.335 20 0 BDADHL C[C@@H](C(=O)[O-])C(=O)N1CCCc2cccc([O-])c21 ZINC000263542680 135359083 /nfs/dbraw/zinc/35/90/83/135359083.db2.gz DUYDNXJSJSZZKA-MRVPVSSYSA-N -2 3 249.266 1.392 20 0 BDADHL Cc1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000659241016 411380755 /nfs/dbraw/zinc/38/07/55/411380755.db2.gz RNRLPTAGZJJLOV-KYZUINATSA-N -2 3 249.266 1.294 20 0 BDADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccccc1[O-] ZINC000663117414 412385965 /nfs/dbraw/zinc/38/59/65/412385965.db2.gz YAFXPRBHJXYPAR-ZDUSSCGKSA-N -2 3 249.266 1.832 20 0 BDADHL C[C@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1C(=O)[O-] ZINC000111248098 588737177 /nfs/dbraw/zinc/73/71/77/588737177.db2.gz QVJHBKVTEZJWCA-WPRPVWTQSA-N -2 3 249.266 1.185 20 0 BDADHL CCO[N-]C(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000809928545 586523896 /nfs/dbraw/zinc/52/38/96/586523896.db2.gz LODOAXNRMIPJHT-RXMQYKEDSA-N -2 3 246.292 1.319 20 0 BDADHL C[C@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)[O-] ZINC000820189702 587033247 /nfs/dbraw/zinc/03/32/47/587033247.db2.gz JIGPTTRQJVFUIL-YFKPBYRVSA-N -2 3 244.630 1.676 20 0 BDADHL Cc1c(NC(=O)c2nc[n-]n2)cccc1C(=O)[O-] ZINC000104333632 587955810 /nfs/dbraw/zinc/95/58/10/587955810.db2.gz FCFYOJVOGXLKDD-UHFFFAOYSA-N -2 3 246.226 1.064 20 0 BDADHL CC(C)c1ccc(C(=O)NCC(=O)[O-])c([O-])c1 ZINC000738880230 597028776 /nfs/dbraw/zinc/02/87/76/597028776.db2.gz ZWGHGRLJRTUVFE-UHFFFAOYSA-N -2 3 237.255 1.330 20 0 BDADHL C[C@](NC(=O)c1ccccc1[O-])(C(=O)[O-])C1CC1 ZINC000037366480 600611531 /nfs/dbraw/zinc/61/15/31/600611531.db2.gz MTJAMPGUWGGBDN-CYBMUJFWSA-N -2 3 249.266 1.375 20 0 BDADHL CC(C)O[N-]C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908570857 639020919 /nfs/dbraw/zinc/02/09/19/639020919.db2.gz WQZLWFZQKLILAU-UHFFFAOYSA-N -2 3 237.259 1.129 20 0 BDADHL CC(C)O[N-]C(=O)CC(C)(C)CC(=O)[O-] ZINC000382220802 711614754 /nfs/dbraw/zinc/61/47/54/711614754.db2.gz ZJVVYOCQNOEQRP-UHFFFAOYSA-N -2 3 217.265 1.334 20 0 BDADHL CC(C)O[N-]C(=O)CCCCC(=O)[O-] ZINC000379167067 712371276 /nfs/dbraw/zinc/37/12/76/712371276.db2.gz NWEZSAPQYPUDLV-UHFFFAOYSA-N -2 3 203.238 1.088 20 0 BDADHL O=C([O-])c1cccc([N-]c2nnco2)c1 ZINC001175329408 977379395 /nfs/dbraw/zinc/37/93/95/977379395.db2.gz ZWSDWPKWBPPMBU-UHFFFAOYSA-N -2 3 205.173 1.511 20 0 BDADHL C[C@@H](C(=O)[O-])C(=O)Nc1c([O-])cccc1Cl ZINC001588575698 982321621 /nfs/dbraw/zinc/32/16/21/982321621.db2.gz IQWHHHRHHBFBAQ-RXMQYKEDSA-N -2 3 243.646 1.705 20 0 BDADHL C[C@@H](OCCP(=O)([O-])[O-])c1cccnc1 ZINC001224603479 973794588 /nfs/dbraw/zinc/79/45/88/973794588.db2.gz YNRZZZNILNYVKW-MRVPVSSYSA-N -2 3 231.188 1.337 20 0 BDADHL C/C=C(\C)C(=O)NCCCCP(=O)([O-])[O-] ZINC001143950266 972439880 /nfs/dbraw/zinc/43/98/80/972439880.db2.gz LWUQBWLTQPOWDR-FPYGCLRLSA-N -2 3 235.220 1.027 20 0 BDADHL C[C@@H]1CC[C@@H](C)[C@@H](Oc2nc(=O)[n-]c(=O)[n-]2)C1 ZINC001227569319 963537187 /nfs/dbraw/zinc/53/71/87/963537187.db2.gz ZGDRBIGQPPEOAK-PRJMDXOYSA-N -2 3 239.275 1.486 20 0 BDADHL CCC[C@H](Oc1nc(=O)[n-]c(=O)[n-]1)[C@@H](C)CC ZINC001227570671 963537624 /nfs/dbraw/zinc/53/76/24/963537624.db2.gz MTBBNEXZYZZHFU-YUMQZZPRSA-N -2 3 241.291 1.876 20 0 BDADHL NCc1cnnn1-c1cc([S-])cc([S-])c1 ZINC001169311869 969557164 /nfs/dbraw/zinc/55/71/64/969557164.db2.gz GYYBXDOIUWPGDY-UHFFFAOYSA-N -2 3 238.341 1.303 20 0 BDADHL Cc1nnc(=O)[n-]c1O[C@H](C)C1=CC=C[CH]1 ZINC001226464062 974914274 /nfs/dbraw/zinc/91/42/74/974914274.db2.gz MDEVWWQRKXYYAD-MRVPVSSYSA-N -2 3 218.236 1.353 20 0 BDADHL O=c1nc(O[C@@H]2CCc3ccccc32)[n-]c(=O)[n-]1 ZINC001227565712 975548355 /nfs/dbraw/zinc/54/83/55/975548355.db2.gz BFXUGTYQRPJGEJ-SECBINFHSA-N -2 3 245.238 1.349 20 0 BDADHL CC(C)C[C@@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569350 975551818 /nfs/dbraw/zinc/55/18/18/975551818.db2.gz ZUTAMNXZJIXFCP-ZCFIWIBFSA-N -2 3 213.237 1.096 20 0 BDADHL C[C@@H]1CCCC[C@H]1Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233936557 978735380 /nfs/dbraw/zinc/73/53/80/978735380.db2.gz YNLGNGCETBWKQK-VXNVDRBHSA-N -2 3 248.286 1.604 20 0 BDADHL CCC[C@@H](CC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233935421 978736856 /nfs/dbraw/zinc/73/68/56/978736856.db2.gz SIBCJMPDDDAFOS-SSDOTTSWSA-N -2 3 236.275 1.604 20 0 BDADHL O=C([O-])[C@@H]([N-]C(=O)C(F)F)c1ccccc1F ZINC001601400213 978810707 /nfs/dbraw/zinc/81/07/07/978810707.db2.gz WYTVZPVWVZVBBN-ZETCQYMHSA-N -2 3 247.172 1.333 20 0 BDADHL O=C([O-])CSCCC(=O)[N-]OCC1CCC1 ZINC001602098650 978892364 /nfs/dbraw/zinc/89/23/64/978892364.db2.gz OTSQMUIYKSBYMH-UHFFFAOYSA-N -2 3 247.316 1.042 20 0 BDADHL CC1(C)C[C@@H]1C(=O)NCCCCP(=O)([O-])[O-] ZINC001181300389 979036021 /nfs/dbraw/zinc/03/60/21/979036021.db2.gz QDEYMPFHHZYHDX-MRVPVSSYSA-N -2 3 249.247 1.107 20 0 BDADHL CCCC[C@@H](SCCc1nn[n-]n1)C(=O)[O-] ZINC001595655642 982046657 /nfs/dbraw/zinc/04/66/57/982046657.db2.gz NQWZUJXCEUCBML-SSDOTTSWSA-N -2 3 244.320 1.119 20 0 BDADHL CC[C@H](C)CO[N-]C(=O)CCCCC(=O)[O-] ZINC001589456577 982804476 /nfs/dbraw/zinc/80/44/76/982804476.db2.gz OADKKSRAEWNTKD-VIFPVBQESA-N -2 3 231.292 1.725 20 0 BDADHL CCc1cccc(C(=O)N2CC(C(=O)[O-])C2)c1[O-] ZINC001593640373 983326714 /nfs/dbraw/zinc/32/67/14/983326714.db2.gz YNALCHZYFJQAGJ-UHFFFAOYSA-N -2 3 249.266 1.111 20 0 BDADHL O=C([O-])Cc1nccnc1-c1cccc([O-])c1F ZINC001243544412 985085933 /nfs/dbraw/zinc/08/59/33/985085933.db2.gz POJWGKDRFCSIEG-UHFFFAOYSA-N -2 3 248.213 1.615 20 0 BDADHL CCS(=O)(=O)[N-]c1c([O-])cccc1F ZINC000606286483 986849800 /nfs/dbraw/zinc/84/98/00/986849800.db2.gz ZKGWHEDZYKCERW-UHFFFAOYSA-N -2 3 219.237 1.293 20 0 BDADHL CC(C)Cc1cc(=O)n(-c2cc(=O)[n-]cn2)[n-]1 ZINC001245933361 987196310 /nfs/dbraw/zinc/19/63/10/987196310.db2.gz SEOYDIYUBCGMRI-UHFFFAOYSA-N -2 3 234.259 1.272 20 0 BDADHL Cc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])c([O-])c1 ZINC000019517057 178390208 /nfs/dbraw/zinc/39/02/08/178390208.db2.gz VVWZTAVHHOZBRG-JTQLQIEISA-N -2 3 249.266 1.390 20 0 BDADHL C[C@]1(C(=O)N=c2ccc([O-])n[n-]2)CC=CCC1 ZINC000410718000 191146877 /nfs/dbraw/zinc/14/68/77/191146877.db2.gz KPGFKAZDDVCUJM-LBPRGKRZSA-N -2 3 233.271 1.289 20 0 BDADHL CC(C)(C(=O)N=c1ccc([O-])n[n-]1)C1CCC1 ZINC000410717454 191147015 /nfs/dbraw/zinc/14/70/15/191147015.db2.gz JNIKZCGCSUTPOG-UHFFFAOYSA-N -2 3 235.287 1.369 20 0 BDADHL Cc1ccc([O-])c(C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000019402095 356482802 /nfs/dbraw/zinc/48/28/02/356482802.db2.gz COIYHYAMZHEQFB-JTQLQIEISA-N -2 3 249.266 1.390 20 0 BDADHL O=C([O-])C1(NC(=O)c2ccccc2[O-])CCCC1 ZINC000037329865 358077881 /nfs/dbraw/zinc/07/78/81/358077881.db2.gz TYDFARUVXLDEGH-UHFFFAOYSA-N -2 3 249.266 1.519 20 0 BDADHL CCCN(CC(=O)[O-])[C@H](CC(C)C)C(=O)[O-] ZINC000629487297 361095442 /nfs/dbraw/zinc/09/54/42/361095442.db2.gz BCHNIHVYYMYNBD-SECBINFHSA-N -2 3 231.292 1.282 20 0 BDADHL CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ncccc1[O-] ZINC000579250476 366747078 /nfs/dbraw/zinc/74/70/78/366747078.db2.gz XMYKSINKNFJCNM-MRVPVSSYSA-N -2 3 238.243 1.083 20 0 BDADHL O=S(=O)([N-]c1ccc(F)cc1[O-])C1CC1 ZINC000070909259 383955868 /nfs/dbraw/zinc/95/58/68/383955868.db2.gz PRHVSWXYNVNEPN-UHFFFAOYSA-N -2 3 231.248 1.435 20 0 BDADHL C[C@H]1CC=CC[C@@H]1C(=O)N=c1ccc([O-])n[n-]1 ZINC000341689087 386950323 /nfs/dbraw/zinc/95/03/23/386950323.db2.gz XWVYIXODDHIOPR-IUCAKERBSA-N -2 3 233.271 1.145 20 0 BDADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1CC2CCC1CC2 ZINC000519103459 387011336 /nfs/dbraw/zinc/01/13/36/387011336.db2.gz GIOHYCBDLANXFO-RTBKNWGFSA-N -2 3 247.298 1.369 20 0 BDADHL COc1nc([N-]C(=O)c2sccc2F)n[n-]1 ZINC000336662412 175388537 /nfs/dbraw/zinc/38/85/37/175388537.db2.gz OIFVDGUJHFZTHG-UHFFFAOYSA-N -2 3 242.235 1.266 20 0 BDADHL Cc1ccc(NC(=O)C2(C(=O)[O-])CC2)c([O-])c1 ZINC000562622380 323025619 /nfs/dbraw/zinc/02/56/19/323025619.db2.gz YOGHJYDHBOGRMY-UHFFFAOYSA-N -2 3 235.239 1.504 20 0 BDADHL C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1C(=O)[O-] ZINC000111248096 588736992 /nfs/dbraw/zinc/73/69/92/588736992.db2.gz QVJHBKVTEZJWCA-SCZZXKLOSA-N -2 3 249.266 1.185 20 0 BDADHL C[C@@H](OC(=O)c1ccc(F)cc1[O-])C(=O)[O-] ZINC000820183143 587032590 /nfs/dbraw/zinc/03/25/90/587032590.db2.gz VQKFNEHETHGLHB-RXMQYKEDSA-N -2 3 228.175 1.161 20 0 BDADHL CCc1cccc(C(=O)N[C@H](C)C(=O)[O-])c1[O-] ZINC000820485838 587051070 /nfs/dbraw/zinc/05/10/70/587051070.db2.gz SKOZOYAHVNYZJV-SSDOTTSWSA-N -2 3 237.255 1.158 20 0 BDADHL Cc1cc(NC(=O)c2cnn[n-]2)ccc1C(=O)[O-] ZINC000071215133 597491275 /nfs/dbraw/zinc/49/12/75/597491275.db2.gz YNHKFSPGSPKONJ-UHFFFAOYSA-N -2 3 246.226 1.064 20 0 BDADHL Cc1cc(NC(=O)c2c[n-]nn2)ccc1C(=O)[O-] ZINC000071215133 597491276 /nfs/dbraw/zinc/49/12/76/597491276.db2.gz YNHKFSPGSPKONJ-UHFFFAOYSA-N -2 3 246.226 1.064 20 0 BDADHL Cc1cc(NC(=O)c2cn[n-]n2)ccc1C(=O)[O-] ZINC000071215133 597491278 /nfs/dbraw/zinc/49/12/78/597491278.db2.gz YNHKFSPGSPKONJ-UHFFFAOYSA-N -2 3 246.226 1.064 20 0 BDADHL CCCO[N-]C(=O)CC(C)(C)CC(=O)[O-] ZINC000314564142 635207995 /nfs/dbraw/zinc/20/79/95/635207995.db2.gz PZKRAILROOPTMH-UHFFFAOYSA-N -2 3 217.265 1.335 20 0 BDADHL O=P([O-])([O-])CCO[C@H]1CCCC[C@@H]1F ZINC001224603364 964802305 /nfs/dbraw/zinc/80/23/05/964802305.db2.gz XSFJIMULPGXYEY-YUMQZZPRSA-N -2 3 226.184 1.461 20 0 BDADHL Cc1cc(CN(C)CCC(=O)[O-])oc1C(=O)[O-] ZINC001594303066 977610903 /nfs/dbraw/zinc/61/09/03/977610903.db2.gz ZGKJDXJGVGUINN-UHFFFAOYSA-N -2 3 241.243 1.193 20 0 BDADHL Cc1ccc(-c2nc([C@H](C)C(=O)[O-])no2)c([O-])c1 ZINC001611162557 970918948 /nfs/dbraw/zinc/91/89/48/970918948.db2.gz IWAPPIQGXSKCAH-ZETCQYMHSA-N -2 3 248.238 1.939 20 0 BDADHL CCO[C@@H](C)COCCCCP(=O)([O-])[O-] ZINC001225019627 974147882 /nfs/dbraw/zinc/14/78/82/974147882.db2.gz ZARNINAKBFZRIJ-VIFPVBQESA-N -2 3 240.236 1.386 20 0 BDADHL CC[C@@H](C)[C@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569863 963537333 /nfs/dbraw/zinc/53/73/33/963537333.db2.gz GSCGTADEKLIVPT-RITPCOANSA-N -2 3 213.237 1.096 20 0 BDADHL C[C@@H]1CCC[C@@H](OCCP(=O)([O-])[O-])C1 ZINC001224605750 964801801 /nfs/dbraw/zinc/80/18/01/964801801.db2.gz JTIKWCZYZAVHDF-RKDXNWHRSA-N -2 3 222.221 1.759 20 0 BDADHL CCS(=O)(=O)[N-]c1c([O-])cccc1C(C)=O ZINC001253361075 969138031 /nfs/dbraw/zinc/13/80/31/969138031.db2.gz HIJNGZGFRMKJDU-UHFFFAOYSA-N -2 3 243.284 1.356 20 0 BDADHL [CH2]CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001256101814 970658127 /nfs/dbraw/zinc/65/81/27/970658127.db2.gz CZVDDLDOBTZHTG-UHFFFAOYSA-N -2 3 234.247 1.467 20 0 BDADHL O=P([O-])([O-])CCCCOC1CCOCC1 ZINC001225023165 974150541 /nfs/dbraw/zinc/15/05/41/974150541.db2.gz VPWUXEFTDGGECT-UHFFFAOYSA-N -2 3 238.220 1.140 20 0 BDADHL C[C@@H]1CCC[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)[C@@H]1C ZINC001227569489 975554654 /nfs/dbraw/zinc/55/46/54/975554654.db2.gz BXZJHTALXVPVFI-PRJMDXOYSA-N -2 3 239.275 1.486 20 0 BDADHL CC[C@H]1CC[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)CC1 ZINC001227569718 975557057 /nfs/dbraw/zinc/55/70/57/975557057.db2.gz FQRSJSQJUIOUQA-ZKCHVHJHSA-N -2 3 239.275 1.630 20 0 BDADHL CC[C@H](C[C@@H](C)CC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571485 975559708 /nfs/dbraw/zinc/55/97/08/975559708.db2.gz UUMZNZHTKLVUND-JGVFFNPUSA-N -2 3 241.291 1.876 20 0 BDADHL Cc1cc(=O)[n-]c(NCCCCC(=O)[O-])n1 ZINC001594327052 977620303 /nfs/dbraw/zinc/62/03/03/977620303.db2.gz PHXPFDVQXNNSMP-UHFFFAOYSA-N -2 3 225.248 1.157 20 0 BDADHL C[C@@H]1CCC[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233938530 978736017 /nfs/dbraw/zinc/73/60/17/978736017.db2.gz CXJXEAVNEQOMCT-HTQZYQBOSA-N -2 3 248.286 1.604 20 0 BDADHL O=C([O-])C12CC(C(=O)[N-]OC3CCCC3)(C1)C2 ZINC001601729016 978840098 /nfs/dbraw/zinc/84/00/98/978840098.db2.gz XVWALKVMWZHKKN-UHFFFAOYSA-N -2 3 239.271 1.232 20 0 BDADHL C[C@H](CC(=O)[O-])CC(=O)Nc1ncccc1[O-] ZINC001592396664 983157467 /nfs/dbraw/zinc/15/74/67/983157467.db2.gz YWUBEVLVFCNIKG-ZETCQYMHSA-N -2 3 238.243 1.227 20 0 BDADHL O=C(Nc1c[n-][nH]c1=O)c1cccc(F)c1[O-] ZINC001558988349 991017228 /nfs/dbraw/zinc/01/72/28/991017228.db2.gz NBAVBOKZRYMINB-UHFFFAOYSA-N -2 3 237.190 1.212 20 0 BDADHL O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000022147269 343042157 /nfs/dbraw/zinc/04/21/57/343042157.db2.gz AXOZJSMOPBGWJT-NSHDSACASA-N -2 3 249.266 1.472 20 0 BDADHL CC1(C)CC(CC(=O)N=c2ccc([O-])n[n-]2)C1 ZINC000410721442 191146716 /nfs/dbraw/zinc/14/67/16/191146716.db2.gz WLOWSIQHQGQMQX-UHFFFAOYSA-N -2 3 235.287 1.369 20 0 BDADHL CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccccc1[O-] ZINC000581669677 367701077 /nfs/dbraw/zinc/70/10/77/367701077.db2.gz CAENGCWFRIZUFH-JTQLQIEISA-N -2 3 237.255 1.688 20 0 BDADHL O=C(Nc1ncccc1[O-])c1cncc([O-])c1 ZINC000109934344 385489808 /nfs/dbraw/zinc/48/98/08/385489808.db2.gz CYYODDUZGRYWGY-UHFFFAOYSA-N -2 3 231.211 1.140 20 0 BDADHL CC[C@@H](C)CON=C([O-])N=c1cn[n-]s1 ZINC000297911544 386286379 /nfs/dbraw/zinc/28/63/79/386286379.db2.gz TZWJHUQMDRGKKA-ZCFIWIBFSA-N -2 3 230.293 1.637 20 0 BDADHL C[C@H]1CCCC[C@H]1C(=O)N=c1ccc([O-])n[n-]1 ZINC000425559385 386633958 /nfs/dbraw/zinc/63/39/58/386633958.db2.gz GSSLFEFXNAEFJF-DTWKUNHWSA-N -2 3 235.287 1.369 20 0 BDADHL Cc1ccc([O-])c(CNCc2ncccc2[O-])n1 ZINC000355284869 387512398 /nfs/dbraw/zinc/51/23/98/387512398.db2.gz DLNAQSDSMVYCNY-UHFFFAOYSA-N -2 3 245.282 1.486 20 0 BDADHL CC[C@@H](NC(=O)c1cc(C)ccc1[O-])C(=O)[O-] ZINC000035409814 387569206 /nfs/dbraw/zinc/56/92/06/387569206.db2.gz GVLROBPXGHCDMO-SECBINFHSA-N -2 3 237.255 1.294 20 0 BDADHL CC(C)[C@@H](C(=O)[O-])[S@](=O)c1cccc([O-])c1 ZINC000582590496 387864779 /nfs/dbraw/zinc/86/47/79/387864779.db2.gz AJWLPCBNZLBHTJ-MGPLVRAMSA-N -2 3 242.296 1.609 20 0 BDADHL CC(C)[C@@H](C(=O)[O-])[S@](=O)c1ccc([O-])cc1 ZINC000556712080 322920431 /nfs/dbraw/zinc/92/04/31/322920431.db2.gz RIMPKVJHCKCTAY-MGPLVRAMSA-N -2 3 242.296 1.609 20 0 BDADHL O=C(C=CC1CCCC1)N=c1ccc([O-])n[n-]1 ZINC000493641869 226247282 /nfs/dbraw/zinc/24/72/82/226247282.db2.gz ANYXNTIFGQTPRT-ALCCZGGFSA-N -2 3 233.271 1.289 20 0 BDADHL O=C(Nc1ncccc1[O-])c1c([O-])cccc1F ZINC000121938333 324024302 /nfs/dbraw/zinc/02/43/02/324024302.db2.gz YUQBFTCQBBHBOY-UHFFFAOYSA-N -2 3 248.213 1.884 20 0 BDADHL CC[C@@H](C(=O)[O-])N(C)Cc1nc(C)ccc1[O-] ZINC000091996747 488079637 /nfs/dbraw/zinc/07/96/37/488079637.db2.gz ZTBIKOMYSJXGSY-JTQLQIEISA-N -2 3 238.287 1.391 20 0 BDADHL Cc1cc(C(=O)O[C@@H](C)C(=O)[O-])ccc1[O-] ZINC000820963646 587085122 /nfs/dbraw/zinc/08/51/22/587085122.db2.gz INLQFOBQDARGQU-ZETCQYMHSA-N -2 3 224.212 1.331 20 0 BDADHL CCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000821009670 587088169 /nfs/dbraw/zinc/08/81/69/587088169.db2.gz YCGLOGZLYIDARF-UHFFFAOYSA-N -2 3 247.258 1.311 20 0 BDADHL Cc1cc(=O)[n-]c([C@@H](C)S[C@H](C)C(=O)[O-])n1 ZINC000832900119 587694706 /nfs/dbraw/zinc/69/47/06/587694706.db2.gz YPZBLPHFNQCSGO-RNFRBKRXSA-N -2 3 242.300 1.758 20 0 BDADHL Cc1ccc(NC(=O)[C@@H](C)CC(=O)[O-])c([O-])c1 ZINC000832942089 587695391 /nfs/dbraw/zinc/69/53/91/587695391.db2.gz BITRZQFSEJESMP-QMMMGPOBSA-N -2 3 237.255 1.750 20 0 BDADHL CC(C)(NC(=O)[O-])C(=O)Nc1ccccc1[O-] ZINC000833461080 587715799 /nfs/dbraw/zinc/71/57/99/587715799.db2.gz LJNIHGFPANBRRR-UHFFFAOYSA-N -2 3 238.243 1.377 20 0 BDADHL CC(C)(CC(=O)[O-])NC(=O)c1ccccc1[O-] ZINC000084145862 600776317 /nfs/dbraw/zinc/77/63/17/600776317.db2.gz TZFOGGYTIBOQKL-UHFFFAOYSA-N -2 3 237.255 1.375 20 0 BDADHL C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccccc1[O-] ZINC000079475696 636388339 /nfs/dbraw/zinc/38/83/39/636388339.db2.gz LYJRCYRXCQRFLW-ZDUSSCGKSA-N -2 3 249.266 1.472 20 0 BDADHL CC(C)(C(=O)[O-])C(=O)Nc1cccc([O-])c1F ZINC000911431299 639645365 /nfs/dbraw/zinc/64/53/65/639645365.db2.gz PRLQZGWYJZJDFI-UHFFFAOYSA-N -2 3 241.218 1.581 20 0 BDADHL CCCCCC(=O)[N-]OCCCC(=O)[O-] ZINC001605254152 979844417 /nfs/dbraw/zinc/84/44/17/979844417.db2.gz QFMNOMQVNHJCKG-UHFFFAOYSA-N -2 3 217.265 1.479 20 0 BDADHL Cc1ccc([C@H](C)OCCP(=O)([O-])[O-])cn1 ZINC001224606796 973790375 /nfs/dbraw/zinc/79/03/75/973790375.db2.gz SAXMUJMVQVUVPI-VIFPVBQESA-N -2 3 245.215 1.645 20 0 BDADHL C[C@H]1CCCC[C@H]1OCCP(=O)([O-])[O-] ZINC001224603832 973793909 /nfs/dbraw/zinc/79/39/09/973793909.db2.gz BXLKWOZYZRPQOY-DTWKUNHWSA-N -2 3 222.221 1.759 20 0 BDADHL Cc1c([N-]c2nnco2)cccc1C(=O)[O-] ZINC001216658423 971146992 /nfs/dbraw/zinc/14/69/92/971146992.db2.gz CFABGSXDFCBNJN-UHFFFAOYSA-N -2 3 219.200 1.820 20 0 BDADHL C[C@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000165069165 949422868 /nfs/dbraw/zinc/42/28/68/949422868.db2.gz UXRWXXGGQKWPLC-YFKPBYRVSA-N -2 3 243.646 1.249 20 0 BDADHL CCCO[N-]C(=O)CCCCC(=O)[O-] ZINC000315361477 972229364 /nfs/dbraw/zinc/22/93/64/972229364.db2.gz DSFLLIWRGXINLH-UHFFFAOYSA-N -2 3 203.238 1.089 20 0 BDADHL CC[C@H](OC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000139531025 958969160 /nfs/dbraw/zinc/96/91/60/958969160.db2.gz QQHAFWWXQIWQBR-VIFPVBQESA-N -2 3 224.212 1.412 20 0 BDADHL CCCC/C=C/[C@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571737 963538328 /nfs/dbraw/zinc/53/83/28/963538328.db2.gz YNIUBUJLOFYOSP-CZEYKFRCSA-N -2 3 239.275 1.797 20 0 BDADHL NCc1cn(-c2cc([S-])cc([S-])c2)cn1 ZINC001162304051 964919075 /nfs/dbraw/zinc/91/90/75/964919075.db2.gz GJZZSICOEFQWJE-UHFFFAOYSA-N -2 3 237.353 1.908 20 0 BDADHL Cc1ccc(-c2nccnc2CC(=O)[O-])c([O-])c1 ZINC001241035527 968868992 /nfs/dbraw/zinc/86/89/92/968868992.db2.gz AAKYWPQCMOXAIP-UHFFFAOYSA-N -2 3 244.250 1.785 20 0 BDADHL CCS(=O)(=O)[N-]c1c([O-])cc(F)cc1F ZINC001253344066 969139715 /nfs/dbraw/zinc/13/97/15/969139715.db2.gz IFWRCSDRGCWORS-UHFFFAOYSA-N -2 3 237.227 1.432 20 0 BDADHL C[C@H]1CC[C@@H](OCCP(=O)([O-])[O-])C1 ZINC001224605291 973796243 /nfs/dbraw/zinc/79/62/43/973796243.db2.gz HIYACMVWJLYBRB-JGVFFNPUSA-N -2 3 208.194 1.369 20 0 BDADHL C[C@H](COC(C)(C)C)OCCP(=O)([O-])[O-] ZINC001224607600 973796735 /nfs/dbraw/zinc/79/67/35/973796735.db2.gz ZIYNNTFLOGWUCC-MRVPVSSYSA-N -2 3 240.236 1.384 20 0 BDADHL CC[C@@H](C)C[C@@H](CC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571483 975562824 /nfs/dbraw/zinc/56/28/24/975562824.db2.gz UUMZNZHTKLVUND-HTQZYQBOSA-N -2 3 241.291 1.876 20 0 BDADHL CCC[C@@H](C)[C@@H](CC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571684 975564799 /nfs/dbraw/zinc/56/47/99/975564799.db2.gz XZVYDPIADHMKCW-HTQZYQBOSA-N -2 3 241.291 1.876 20 0 BDADHL Cc1cc(=O)[n-]c(C=Cc2ccoc2C(=O)[O-])n1 ZINC001600286498 978686849 /nfs/dbraw/zinc/68/68/49/978686849.db2.gz LCXQPFDRYMHRME-IHWYPQMZSA-N -2 3 246.222 1.952 20 0 BDADHL O=c1nc2cn[n-]c2c(OC(C2CC2)C2CC2)[n-]1 ZINC001233940638 978738162 /nfs/dbraw/zinc/73/81/62/978738162.db2.gz YIEINJNOFFPQFV-UHFFFAOYSA-N -2 3 246.270 1.214 20 0 BDADHL O=C([O-])c1ccccc1CC(=O)[N-]OC1CCC1 ZINC001601368507 978807948 /nfs/dbraw/zinc/80/79/48/978807948.db2.gz VMLWOFWPSRJLQX-UHFFFAOYSA-N -2 3 249.266 1.528 20 0 BDADHL O=C([O-])CCCO[N-]C(=O)CCC1CCC1 ZINC001601995294 978876480 /nfs/dbraw/zinc/87/64/80/978876480.db2.gz OKDZGIQADJDXHJ-UHFFFAOYSA-N -2 3 229.276 1.479 20 0 BDADHL O=C([O-])[C@H](OC(=O)c1ccc([O-])cc1)C1CC1 ZINC001602599442 979139633 /nfs/dbraw/zinc/13/96/33/979139633.db2.gz BGGBLWOPZCMMFJ-SNVBAGLBSA-N -2 3 236.223 1.412 20 0 BDADHL Cc1cc(N[C@H](C)C(=O)[O-])cc(-c2nn[n-]n2)c1 ZINC001605719681 979908276 /nfs/dbraw/zinc/90/82/76/979908276.db2.gz MFVKKARSKCSTPC-SSDOTTSWSA-N -2 3 247.258 1.060 20 0 BDADHL Cc1ccc(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])c([O-])c1 ZINC001607733223 980124541 /nfs/dbraw/zinc/12/45/41/980124541.db2.gz ALMXTOVRIRPHCV-SCZZXKLOSA-N -2 3 249.266 1.294 20 0 BDADHL CC[C@@H](C)CON=c1[n-]cncc1-c1nnn[n-]1 ZINC001590410904 982936045 /nfs/dbraw/zinc/93/60/45/982936045.db2.gz WCXKAJIONYIXIX-SSDOTTSWSA-N -2 3 249.278 1.046 20 0 BDADHL CCCCc1cc(=O)n(-c2cc(=O)[n-]cn2)[n-]1 ZINC001245927750 987189613 /nfs/dbraw/zinc/18/96/13/987189613.db2.gz ZZRPFMBCFNWNHH-UHFFFAOYSA-N -2 3 234.259 1.416 20 0 BDADHL O=C(Nc1c[n-][nH]c1=O)c1c([O-])cccc1F ZINC001472571001 987244845 /nfs/dbraw/zinc/24/48/45/987244845.db2.gz YHVXBISLIKKEMX-UHFFFAOYSA-N -2 3 237.190 1.212 20 0 BDADHL Cc1cccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000062117594 179011754 /nfs/dbraw/zinc/01/17/54/179011754.db2.gz LPGWYLHZBLAGQB-SECBINFHSA-N -2 3 249.266 1.247 20 0 BDADHL CC[C@@H](C(=O)[O-])[S@](=O)c1cccc([O-])c1 ZINC000590900931 347584560 /nfs/dbraw/zinc/58/45/60/347584560.db2.gz OZBGPZIQQMNVGK-BJOHPYRUSA-N -2 3 228.269 1.363 20 0 BDADHL CC(C)C[C@@H]1C[C@H]1C(=O)N=c1ccc([O-])n[n-]1 ZINC000410717479 191147020 /nfs/dbraw/zinc/14/70/20/191147020.db2.gz JPEDAVAYXQQZMT-RKDXNWHRSA-N -2 3 235.287 1.225 20 0 BDADHL O=C([N-]OCC1CC1)c1c(F)ccc([O-])c1F ZINC000293673783 182281998 /nfs/dbraw/zinc/28/19/98/182281998.db2.gz AEXXDQBJCWMXQA-UHFFFAOYSA-N -2 3 243.209 1.742 20 0 BDADHL CCCN(CC(=O)[O-])C(=O)c1cccc([O-])c1 ZINC000038019493 169097754 /nfs/dbraw/zinc/09/77/54/169097754.db2.gz DGKYHGCEGMQQLY-UHFFFAOYSA-N -2 3 237.255 1.329 20 0 BDADHL O=S(=O)([N-]c1cc(F)ccc1[O-])C1CC1 ZINC000082879276 384274351 /nfs/dbraw/zinc/27/43/51/384274351.db2.gz VAKHBXRZJZZAMO-UHFFFAOYSA-N -2 3 231.248 1.435 20 0 BDADHL O=S(=O)(CCC1CC1)[N-]c1ccccc1O ZINC000129931574 385203037 /nfs/dbraw/zinc/20/30/37/385203037.db2.gz GTGCDQMHVUDHPN-UHFFFAOYSA-N -2 3 241.312 1.934 20 0 BDADHL O=S(=O)(CCC1CC1)[N-]c1ccccc1[O-] ZINC000129931574 385203043 /nfs/dbraw/zinc/20/30/43/385203043.db2.gz GTGCDQMHVUDHPN-UHFFFAOYSA-N -2 3 241.312 1.934 20 0 BDADHL O=C(Nc1cc(F)ccc1[O-])c1ncccc1[O-] ZINC000174900556 134284977 /nfs/dbraw/zinc/28/49/77/134284977.db2.gz DIJKFCHFEINHMV-UHFFFAOYSA-N -2 3 248.213 1.884 20 0 BDADHL O=C([O-])CCCCC(=O)Nc1ncccc1[O-] ZINC000655556799 411497736 /nfs/dbraw/zinc/49/77/36/411497736.db2.gz ZCWWOKNWMQTRIL-UHFFFAOYSA-N -2 3 238.243 1.371 20 0 BDADHL Cc1ccc(C(=O)NC2(C(=O)[O-])CC2)c([O-])c1 ZINC000203652157 490153519 /nfs/dbraw/zinc/15/35/19/490153519.db2.gz QKFOZNHXJDFCIF-UHFFFAOYSA-N -2 3 235.239 1.048 20 0 BDADHL O=C([O-])COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000819532474 586971277 /nfs/dbraw/zinc/97/12/77/586971277.db2.gz MDIQLBMXMMUVKE-UHFFFAOYSA-N -2 3 248.593 1.426 20 0 BDADHL C/C(=C\COC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000825780907 587338746 /nfs/dbraw/zinc/33/87/46/587338746.db2.gz KOQIPFBZELSTMC-SOFGYWHQSA-N -2 3 236.223 1.580 20 0 BDADHL C[C@H](CC(=O)[O-])C(=O)Nc1ccccc1[O-] ZINC000827316773 587376755 /nfs/dbraw/zinc/37/67/55/587376755.db2.gz DREDDTXFSSFSMB-SSDOTTSWSA-N -2 3 223.228 1.442 20 0 BDADHL O=C([O-])c1ccc(C=Cc2nccc(=O)[n-]2)o1 ZINC000833312733 587705989 /nfs/dbraw/zinc/70/59/89/587705989.db2.gz VUCLOGBTDWMHEL-RQOWECAXSA-N -2 3 232.195 1.644 20 0 BDADHL CCCO[N-]C(=O)c1n[n-]c2ccccc2c1=O ZINC000844086945 588164867 /nfs/dbraw/zinc/16/48/67/588164867.db2.gz SGOROINXVGRHQB-UHFFFAOYSA-N -2 3 247.254 1.407 20 0 BDADHL O=C([N-]OCC1CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000848129800 588359088 /nfs/dbraw/zinc/35/90/88/588359088.db2.gz XTUDPHCMAYOPBZ-UHFFFAOYSA-N -2 3 249.270 1.131 20 0 BDADHL C[C@@H](CNCc1c(F)ccc([O-])c1F)C(=O)[O-] ZINC000848641097 588403243 /nfs/dbraw/zinc/40/32/43/588403243.db2.gz XUUICABKSSWIAD-LURJTMIESA-N -2 3 245.225 1.481 20 0 BDADHL CC(C)(CC(=O)[O-])CC(=O)[N-]OC1CCC1 ZINC000911814781 639803579 /nfs/dbraw/zinc/80/35/79/639803579.db2.gz SFRQDFXCNRXIDW-UHFFFAOYSA-N -2 3 229.276 1.478 20 0 BDADHL CCO[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC000911799179 639821053 /nfs/dbraw/zinc/82/10/53/639821053.db2.gz HZBRZOOVEFKZMO-UHFFFAOYSA-N -2 3 237.255 1.385 20 0 BDADHL O=C([O-])CCCO[N-]C(=O)C[C@H]1C=CCC1 ZINC001601995676 978881822 /nfs/dbraw/zinc/88/18/22/978881822.db2.gz SVDBLBCYBFKYKE-VIFPVBQESA-N -2 3 227.260 1.255 20 0 BDADHL O=P([O-])([O-])CCO[C@@H]1CC2CCC1CC2 ZINC001224604894 973790980 /nfs/dbraw/zinc/79/09/80/973790980.db2.gz GNZDCVMUTQISJI-UDNWOFFPSA-N -2 3 234.232 1.759 20 0 BDADHL O=P([O-])([O-])CCOC1CCCCCC1 ZINC001224605791 973791130 /nfs/dbraw/zinc/79/11/30/973791130.db2.gz KKSSHWBKPXVIAI-UHFFFAOYSA-N -2 3 222.221 1.904 20 0 BDADHL O=C([O-])CCC(=O)Nc1cccc([O-])c1F ZINC001611421493 971040753 /nfs/dbraw/zinc/04/07/53/971040753.db2.gz IZSVHHYTJJJARK-UHFFFAOYSA-N -2 3 227.191 1.335 20 0 BDADHL CC[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225018569 974144201 /nfs/dbraw/zinc/14/42/01/974144201.db2.gz AYDDAQJSHLYYRZ-MRVPVSSYSA-N -2 3 210.210 1.759 20 0 BDADHL O=P([O-])([O-])CCCCO[C@@H]1CCCOC1 ZINC001225018810 974147036 /nfs/dbraw/zinc/14/70/36/974147036.db2.gz IEIMNQDKLYXWMI-SECBINFHSA-N -2 3 238.220 1.140 20 0 BDADHL CC[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225019842 974149320 /nfs/dbraw/zinc/14/93/20/974149320.db2.gz AYDDAQJSHLYYRZ-QMMMGPOBSA-N -2 3 210.210 1.759 20 0 BDADHL Cc1oc(C[N-]C(=O)C(F)F)cc1C(=O)[O-] ZINC000235844786 960514208 /nfs/dbraw/zinc/51/42/08/960514208.db2.gz NSTOPPLQTBDNGV-UHFFFAOYSA-N -2 3 233.170 1.168 20 0 BDADHL CC[C@H](C)[C@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569867 963536142 /nfs/dbraw/zinc/53/61/42/963536142.db2.gz GSCGTADEKLIVPT-WDSKDSINSA-N -2 3 213.237 1.096 20 0 BDADHL CC1(C)C[C@@H](OCCP(=O)([O-])[O-])CCO1 ZINC001224602732 964798160 /nfs/dbraw/zinc/79/81/60/964798160.db2.gz SUFDPZDRALVGFX-QMMMGPOBSA-N -2 3 238.220 1.138 20 0 BDADHL O=P([O-])([O-])CCCCOC1CC=CC1 ZINC001225019936 974147299 /nfs/dbraw/zinc/14/72/99/974147299.db2.gz CNIIXHGMLVRUGX-UHFFFAOYSA-N -2 3 220.205 1.680 20 0 BDADHL CC(=O)c1cnc(=O)[n-]c1O[C@H](C)C1=CC=C[CH]1 ZINC001226237358 974833247 /nfs/dbraw/zinc/83/32/47/974833247.db2.gz IRAXFHFYJGBZNA-SECBINFHSA-N -2 3 245.258 1.853 20 0 BDADHL CC(C)=CCC[C@@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571342 975561739 /nfs/dbraw/zinc/56/17/39/975561739.db2.gz SDLUKPKHWXJECL-MRVPVSSYSA-N -2 3 239.275 1.797 20 0 BDADHL Cc1ccc(C(=O)[O-])cc1[N-]c1nonc1N ZINC001174982483 977221378 /nfs/dbraw/zinc/22/13/78/977221378.db2.gz YXGJJFYWACRZKS-UHFFFAOYSA-N -2 3 234.215 1.402 20 0 BDADHL Cc1ncc(Nc2cccc(C(=O)[O-])c2)c(=O)[n-]1 ZINC001175331065 977379211 /nfs/dbraw/zinc/37/92/11/977379211.db2.gz SGAFKBINYLHSBA-UHFFFAOYSA-N -2 3 245.238 1.932 20 0 BDADHL Cc1cccc([O-])c1C(=O)N[C@@H](C)/C=C\C(=O)[O-] ZINC001600542878 978700558 /nfs/dbraw/zinc/70/05/58/978700558.db2.gz SVLGEGBELQFURZ-NMTCXDENSA-N -2 3 249.266 1.460 20 0 BDADHL C[C@H]1CC[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233939063 978736129 /nfs/dbraw/zinc/73/61/29/978736129.db2.gz GVXVROZHDLYALL-NKWVEPMBSA-N -2 3 234.259 1.214 20 0 BDADHL CC[C@H](C)[C@@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233939541 978737314 /nfs/dbraw/zinc/73/73/14/978737314.db2.gz LAPIPAFSHRBSCU-NKWVEPMBSA-N -2 3 236.275 1.460 20 0 BDADHL O=C([O-])c1coc(C[N-]c2nc(C3CC3)no2)c1 ZINC001602557569 979133016 /nfs/dbraw/zinc/13/30/16/979133016.db2.gz USWHERQTBBGLOE-UHFFFAOYSA-N -2 3 249.226 1.850 20 0 BDADHL CC[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)[O-] ZINC001595349167 980651961 /nfs/dbraw/zinc/65/19/61/980651961.db2.gz RZGVOTRHYXJEKB-MRVPVSSYSA-N -2 3 237.211 1.781 20 0 BDADHL O=C(Nc1ccc(F)c([O-])c1)c1cc(=O)[nH][n-]1 ZINC001193468682 981340067 /nfs/dbraw/zinc/34/00/67/981340067.db2.gz IICHMOLLGDMXSH-UHFFFAOYSA-N -2 3 237.190 1.212 20 0 BDADHL C/C(=C/COC(=O)c1cc2occc2[n-]1)C(=O)[O-] ZINC001588989044 984968572 /nfs/dbraw/zinc/96/85/72/984968572.db2.gz HUFXKABYXZHZKO-UQCOIBPSSA-N -2 3 249.222 1.949 20 0 BDADHL O=C(Nc1cccc(F)c1[O-])c1ccc([O-])cn1 ZINC001471170185 987080369 /nfs/dbraw/zinc/08/03/69/987080369.db2.gz ZZLZSCKWVQDAFY-UHFFFAOYSA-N -2 3 248.213 1.884 20 0 BDADHL CC(C)(C)Cc1cc(=O)n(-c2cc(=O)[n-]cn2)[n-]1 ZINC001245933926 987200964 /nfs/dbraw/zinc/20/09/64/987200964.db2.gz ZVBMIKQNXNVIRR-UHFFFAOYSA-N -2 3 248.286 1.662 20 0 BDADHL CSCCCC(=O)[N-]OCCCC(=O)[O-] ZINC001599797519 988121492 /nfs/dbraw/zinc/12/14/92/988121492.db2.gz LXWGHKAYUHZQFT-UHFFFAOYSA-N -2 3 235.305 1.042 20 0 BDADHL O=C([O-])[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000022146133 343042211 /nfs/dbraw/zinc/04/22/11/343042211.db2.gz YXVYVFMHUHMVNL-VIFPVBQESA-N -2 3 249.266 1.329 20 0 BDADHL Cc1csc(C(=O)[O-])c1[N-]S(C)(=O)=O ZINC000166436285 344896394 /nfs/dbraw/zinc/89/63/94/344896394.db2.gz WULKASMVBOUNFL-UHFFFAOYSA-N -2 3 235.286 1.126 20 0 BDADHL Cc1cccc(C(=O)NC[C@@H](C)C(=O)[O-])c1[O-] ZINC000054309684 179017250 /nfs/dbraw/zinc/01/72/50/179017250.db2.gz DBRHZTPUXPULAT-MRVPVSSYSA-N -2 3 237.255 1.151 20 0 BDADHL C[C@@H](CC(=O)N=c1ccc([O-])n[n-]1)c1ccco1 ZINC000637125868 350206825 /nfs/dbraw/zinc/20/68/25/350206825.db2.gz AVCIKHKOTDSIPJ-QMMMGPOBSA-N -2 3 247.254 1.329 20 0 BDADHL CC(C)(C)C(C)(C)C(=O)N=c1ccc([O-])n[n-]1 ZINC000410717121 191146812 /nfs/dbraw/zinc/14/68/12/191146812.db2.gz IVNJYMAQEIGWEV-UHFFFAOYSA-N -2 3 237.303 1.615 20 0 BDADHL CS(=O)(=O)[N-]c1ccc(Cl)cc1[O-] ZINC000089064081 359985572 /nfs/dbraw/zinc/98/55/72/359985572.db2.gz IRCIUPYBYCCHFH-UHFFFAOYSA-N -2 3 221.665 1.417 20 0 BDADHL CC[C@@H](C(=O)[O-])[S@@](=O)c1ccc([O-])cc1 ZINC000059739193 368533083 /nfs/dbraw/zinc/53/30/83/368533083.db2.gz QVUWRVYHRHKQQX-BJOHPYRUSA-N -2 3 228.269 1.363 20 0 BDADHL Cc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000062117433 385159857 /nfs/dbraw/zinc/15/98/57/385159857.db2.gz GGOVMIUPVPNWIM-VIFPVBQESA-N -2 3 249.266 1.247 20 0 BDADHL CCC[C@@H](C(=O)N=c1ccc([O-])n[n-]1)C(C)C ZINC000410715126 386542011 /nfs/dbraw/zinc/54/20/11/386542011.db2.gz DFQOJSRHEKDUEZ-SECBINFHSA-N -2 3 237.303 1.615 20 0 BDADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1CCC[C@@H](F)C1 ZINC000425559656 386634847 /nfs/dbraw/zinc/63/48/47/386634847.db2.gz HKMZNHMATOBAAD-JGVFFNPUSA-N -2 3 239.250 1.071 20 0 BDADHL Cc1[n-][nH]c(=O)c1NC(=O)c1cccc(C)c1[O-] ZINC000646412857 388352752 /nfs/dbraw/zinc/35/27/52/388352752.db2.gz DBRHOPPLDWYWPY-UHFFFAOYSA-N -2 3 247.254 1.690 20 0 BDADHL CS(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000020375313 388763237 /nfs/dbraw/zinc/76/32/37/388763237.db2.gz MRAUKSTYOQRWRU-UHFFFAOYSA-N -2 3 221.665 1.417 20 0 BDADHL Cc1nnc(=O)[n-]c1O[C@@H](C)C1=CC=C[CH]1 ZINC001226464135 974915497 /nfs/dbraw/zinc/91/54/97/974915497.db2.gz MDEVWWQRKXYYAD-QMMMGPOBSA-N -2 3 218.236 1.353 20 0 BDADHL N=c1[n-]nc(SCc2ncccc2[O-])s1 ZINC000568349870 326347598 /nfs/dbraw/zinc/34/75/98/326347598.db2.gz JADGGBBPKWPSGN-UHFFFAOYSA-N -2 3 240.313 1.344 20 0 BDADHL COCCS(=O)(=O)[N-]c1cccc(C)c1[O-] ZINC000086556240 491063084 /nfs/dbraw/zinc/06/30/84/491063084.db2.gz BRGGERIMZZOSLU-UHFFFAOYSA-N -2 3 245.300 1.089 20 0 BDADHL Cc1ccc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c([O-])c1 ZINC000901605225 584468736 /nfs/dbraw/zinc/46/87/36/584468736.db2.gz ONGMWWWKKNXVQD-RKDXNWHRSA-N -2 3 249.266 1.750 20 0 BDADHL O=C([N-]OCCC1CC1)C(=O)c1ccc([O-])cc1 ZINC000817446233 586806046 /nfs/dbraw/zinc/80/60/46/586806046.db2.gz JXYZNTAHWDMIEV-UHFFFAOYSA-N -2 3 249.266 1.423 20 0 BDADHL Cc1ccc(C(=O)NCCC(=O)[O-])c([O-])c1C ZINC000818874925 586914918 /nfs/dbraw/zinc/91/49/18/586914918.db2.gz MFMYSCQPHHRIMT-UHFFFAOYSA-N -2 3 237.255 1.214 20 0 BDADHL C[C@H](NC(=O)[O-])C(=O)Nc1cc(F)ccc1[O-] ZINC000825185751 587308718 /nfs/dbraw/zinc/30/87/18/587308718.db2.gz IFYHYHOKMJGZAY-YFKPBYRVSA-N -2 3 242.206 1.126 20 0 BDADHL Cc1ccc(NC(=O)[C@H](C)CC(=O)[O-])c([O-])c1 ZINC000832942088 587695658 /nfs/dbraw/zinc/69/56/58/587695658.db2.gz BITRZQFSEJESMP-MRVPVSSYSA-N -2 3 237.255 1.750 20 0 BDADHL Cc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])ccc1[O-] ZINC000206672887 587834446 /nfs/dbraw/zinc/83/44/46/587834446.db2.gz NKSXYUPDWXNFEJ-SNVBAGLBSA-N -2 3 249.266 1.390 20 0 BDADHL CCCO[N-]C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000848238541 588366889 /nfs/dbraw/zinc/36/68/89/588366889.db2.gz QTADMLYXNAOWQW-UHFFFAOYSA-N -2 3 237.259 1.131 20 0 BDADHL O=C([N-]OC1CCCCC1)c1cc(=O)[n-]cn1 ZINC000860992294 589138230 /nfs/dbraw/zinc/13/82/30/589138230.db2.gz JOGMEGCESUXVLC-UHFFFAOYSA-N -2 3 237.259 1.176 20 0 BDADHL O=C1[N-]C(=O)C(=Cc2ccc([O-])c(F)c2)S1 ZINC000874927571 590156240 /nfs/dbraw/zinc/15/62/40/590156240.db2.gz DYSWNYJQQVADPY-YWEYNIOJSA-N -2 3 239.227 1.855 20 0 BDADHL O=C([O-])C[C@@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC000137174482 592156935 /nfs/dbraw/zinc/15/69/35/592156935.db2.gz KBWDRIMVPCHSMF-SNVBAGLBSA-N -2 3 249.266 1.375 20 0 BDADHL CC(C)O[N-]C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000911809298 639831645 /nfs/dbraw/zinc/83/16/45/639831645.db2.gz KYNJUFFKHBGGFG-UHFFFAOYSA-N -2 3 237.255 1.384 20 0 BDADHL CC/C=C(\C)[C@H](CC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227570828 975559401 /nfs/dbraw/zinc/55/94/01/975559401.db2.gz OFQMHSIHPCVIHD-CZEYKFRCSA-N -2 3 239.275 1.797 20 0 BDADHL O=C([O-])CCCC(=O)[N-]OC/C=C\Cl ZINC001601978855 978874809 /nfs/dbraw/zinc/87/48/09/978874809.db2.gz AVDKPNOHDCTOOR-DJWKRKHSSA-N -2 3 221.640 1.042 20 0 BDADHL C[C@H](C(=O)[O-])C(=O)Nc1cc(Cl)ccc1[O-] ZINC001602806331 979250999 /nfs/dbraw/zinc/25/09/99/979250999.db2.gz HZMGHZQLEWGEQO-YFKPBYRVSA-N -2 3 243.646 1.705 20 0 BDADHL C[C@@H]1CCCC[C@@H]1OCCP(=O)([O-])[O-] ZINC001224603831 973792025 /nfs/dbraw/zinc/79/20/25/973792025.db2.gz BXLKWOZYZRPQOY-BDAKNGLRSA-N -2 3 222.221 1.759 20 0 BDADHL O=C([O-])CNC(=O)c1cc([O-])c2ccccc2c1 ZINC001611480146 971073676 /nfs/dbraw/zinc/07/36/76/971073676.db2.gz JNVGTOTYXKWGDK-UHFFFAOYSA-N -2 3 245.234 1.360 20 0 BDADHL CC(C)CO[N-]C(=O)C[C@@H](C)CC(=O)[O-] ZINC000134227485 958834630 /nfs/dbraw/zinc/83/46/30/958834630.db2.gz KTJXQGLMPYRORI-MRVPVSSYSA-N -2 3 217.265 1.191 20 0 BDADHL C[C@@H](CC(=O)[O-])CC(=O)[N-]OC1CCCC1 ZINC000136883837 958911006 /nfs/dbraw/zinc/91/10/06/958911006.db2.gz SGKKYCQGGPNAKN-MRVPVSSYSA-N -2 3 229.276 1.478 20 0 BDADHL CCC[C@H](Oc1nc(=O)[n-]c(=O)[n-]1)[C@H](C)CC ZINC001227570666 963538383 /nfs/dbraw/zinc/53/83/83/963538383.db2.gz MTBBNEXZYZZHFU-SFYZADRCSA-N -2 3 241.291 1.876 20 0 BDADHL C[C@H]1CCC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233938533 965622787 /nfs/dbraw/zinc/62/27/87/965622787.db2.gz CXJXEAVNEQOMCT-YUMQZZPRSA-N -2 3 248.286 1.604 20 0 BDADHL C[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000165069279 967665086 /nfs/dbraw/zinc/66/50/86/967665086.db2.gz UXRWXXGGQKWPLC-RXMQYKEDSA-N -2 3 243.646 1.249 20 0 BDADHL C[C@@H](OCCP(=O)([O-])[O-])c1ccco1 ZINC001224601159 973787468 /nfs/dbraw/zinc/78/74/68/973787468.db2.gz DTVGYOJZIYRATI-SSDOTTSWSA-N -2 3 220.161 1.535 20 0 BDADHL O=P([O-])([O-])CCCCO[C@H]1CCCOC1 ZINC001225021500 974152293 /nfs/dbraw/zinc/15/22/93/974152293.db2.gz IEIMNQDKLYXWMI-VIFPVBQESA-N -2 3 238.220 1.140 20 0 BDADHL COc1cnc(=O)[n-]c1O[C@H](C)C1=CC=C[CH]1 ZINC001226827338 975103319 /nfs/dbraw/zinc/10/33/19/975103319.db2.gz CMAGXUINXIYYJQ-MRVPVSSYSA-N -2 3 233.247 1.659 20 0 BDADHL C[C@H]1CC(Oc2nc(=O)[n-]c(=O)[n-]2)C[C@H](C)C1 ZINC001227565797 975547120 /nfs/dbraw/zinc/54/71/20/975547120.db2.gz BXGWRTQMHYANFY-RNFRBKRXSA-N -2 3 239.275 1.486 20 0 BDADHL C[C@@H]1CCC[C@H](C)[C@H]1Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569622 975551661 /nfs/dbraw/zinc/55/16/61/975551661.db2.gz DIJXUPBPPXEAJO-JIGDXULJSA-N -2 3 239.275 1.486 20 0 BDADHL O=c1nc(O[C@@H]2CCC=CCCC2)[n-]c(=O)[n-]1 ZINC001227570754 975561918 /nfs/dbraw/zinc/56/19/18/975561918.db2.gz NXTIDXUXZGYGGS-MRVPVSSYSA-N -2 3 237.259 1.551 20 0 BDADHL CCC(CC)[C@@H](CC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571068 975564484 /nfs/dbraw/zinc/56/44/84/975564484.db2.gz PGZKYAIIQYKHOH-MRVPVSSYSA-N -2 3 241.291 1.876 20 0 BDADHL O=C([O-])CCCCC(=O)[N-]OCC1CC1 ZINC000688948994 976196550 /nfs/dbraw/zinc/19/65/50/976196550.db2.gz WWUBJZDFOAXJLI-UHFFFAOYSA-N -2 3 215.249 1.089 20 0 BDADHL CCCC[C@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233936185 978736635 /nfs/dbraw/zinc/73/66/35/978736635.db2.gz WYAUSSUKLMVNOT-ZETCQYMHSA-N -2 3 236.275 1.604 20 0 BDADHL CC[C@H](C)[C@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233939540 978737943 /nfs/dbraw/zinc/73/79/43/978737943.db2.gz LAPIPAFSHRBSCU-BQBZGAKWSA-N -2 3 236.275 1.460 20 0 BDADHL O=C([O-])CC(=O)Nc1c([O-])cccc1Cl ZINC001601888236 978862438 /nfs/dbraw/zinc/86/24/38/978862438.db2.gz PWEGGMXIIWQRBT-UHFFFAOYSA-N -2 3 229.619 1.459 20 0 BDADHL CCCCCOC(=O)NCCP(=O)([O-])[O-] ZINC001193783186 981434115 /nfs/dbraw/zinc/43/41/15/981434115.db2.gz QHBBAFOTPFFMSB-UHFFFAOYSA-N -2 3 239.208 1.081 20 0 BDADHL CCCC[C@H](SCCc1nn[n-]n1)C(=O)[O-] ZINC001595655643 982046317 /nfs/dbraw/zinc/04/63/17/982046317.db2.gz NQWZUJXCEUCBML-ZETCQYMHSA-N -2 3 244.320 1.119 20 0 BDADHL Cc1cc(-c2ccc(C(=O)[O-])nn2)cc([O-])c1F ZINC001244508366 986214390 /nfs/dbraw/zinc/21/43/90/986214390.db2.gz RGOFBGCSSCGZFX-UHFFFAOYSA-N -2 3 248.213 1.995 20 0 BDADHL [O-]C(=NOCC1CC1)N=c1cn[n-]s1 ZINC001476415885 987841867 /nfs/dbraw/zinc/84/18/67/987841867.db2.gz HEAXNIICOVEKNQ-UHFFFAOYSA-N -2 3 214.250 1.001 20 0 BDADHL Cc1[n-]n(-c2cn[n-]c(=O)c2Cl)c(=O)c1C ZINC000634587008 342930981 /nfs/dbraw/zinc/93/09/81/342930981.db2.gz BWWTYZJTLCWZER-SCSAIBSYSA-N -2 3 240.650 1.194 20 0 BDADHL CCC[C@@H](C(=O)[O-])[S@](=O)c1cccc([O-])c1 ZINC000590901051 347584817 /nfs/dbraw/zinc/58/48/17/347584817.db2.gz RBNGOPYIYMBMQJ-MGPLVRAMSA-N -2 3 242.296 1.753 20 0 BDADHL CCN(C)S(=O)(=O)Nc1c([O-])cccc1F ZINC000081198832 491133952 /nfs/dbraw/zinc/13/39/52/491133952.db2.gz ZJBZGZKFCYYZFO-UHFFFAOYSA-N -2 3 248.279 1.140 20 0 BDADHL CCN(C)S(=O)(=O)[N-]c1c([O-])cccc1F ZINC000081198832 491133953 /nfs/dbraw/zinc/13/39/53/491133953.db2.gz ZJBZGZKFCYYZFO-UHFFFAOYSA-N -2 3 248.279 1.140 20 0 BDADHL Cc1ccc(C(=O)N[C@H](C)CC(=O)[O-])c([O-])c1 ZINC000036981588 383923734 /nfs/dbraw/zinc/92/37/34/383923734.db2.gz ALYVDRJDSVQLID-MRVPVSSYSA-N -2 3 237.255 1.294 20 0 BDADHL C[C@@H]1CCCC[C@@H]1C(=O)N=c1ccc([O-])n[n-]1 ZINC000425559384 386633629 /nfs/dbraw/zinc/63/36/29/386633629.db2.gz GSSLFEFXNAEFJF-BDAKNGLRSA-N -2 3 235.287 1.369 20 0 BDADHL CC(C)(C)C1CC(C(=O)N=c2ccc([O-])n[n-]2)C1 ZINC000332413139 386977115 /nfs/dbraw/zinc/97/71/15/386977115.db2.gz AHVSBKPMJKXSBC-UHFFFAOYSA-N -2 3 249.314 1.615 20 0 BDADHL COCCS(=O)(=O)[N-]c1ccc(C)cc1[O-] ZINC000042809664 174373308 /nfs/dbraw/zinc/37/33/08/174373308.db2.gz UOTXJBXSHKRADC-UHFFFAOYSA-N -2 3 245.300 1.089 20 0 BDADHL Cc1ccc(C(=O)N(C)CC(=O)[O-])c([O-])c1C ZINC000738256535 585042146 /nfs/dbraw/zinc/04/21/46/585042146.db2.gz UVVANHFXGZROAK-UHFFFAOYSA-N -2 3 237.255 1.166 20 0 BDADHL COc1cc(C(=O)O[C@@H](C)C(=O)[O-])ccc1[O-] ZINC000820759270 587070583 /nfs/dbraw/zinc/07/05/83/587070583.db2.gz NEQXMZQVWYKFEB-LURJTMIESA-N -2 3 240.211 1.031 20 0 BDADHL Cc1ccc(C(=O)N[C@H](C)C(=O)[O-])c([O-])c1C ZINC000821064169 587092750 /nfs/dbraw/zinc/09/27/50/587092750.db2.gz YHHOYRHBGUXCOD-MRVPVSSYSA-N -2 3 237.255 1.212 20 0 BDADHL CO[N-]C(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000829060867 587481309 /nfs/dbraw/zinc/48/13/09/587481309.db2.gz FOBGKBAIMPAGKM-DTWKUNHWSA-N -2 3 244.291 1.080 20 0 BDADHL CCC[C@H]([N-]C(=O)C(F)(F)CC)c1nn[n-]n1 ZINC000829800527 587517578 /nfs/dbraw/zinc/51/75/78/587517578.db2.gz HFGOKZDIZDTSDE-LURJTMIESA-N -2 3 247.249 1.202 20 0 BDADHL Cc1cc(=O)[n-]c([C@H](C)S[C@@H](C)C(=O)[O-])n1 ZINC000832900117 587694466 /nfs/dbraw/zinc/69/44/66/587694466.db2.gz YPZBLPHFNQCSGO-BQBZGAKWSA-N -2 3 242.300 1.758 20 0 BDADHL O=C([O-])Nc1cccc(NC(=O)c2nc[n-]n2)c1 ZINC000833289311 587704448 /nfs/dbraw/zinc/70/44/48/587704448.db2.gz KWSFRODRPNXMDC-UHFFFAOYSA-N -2 3 247.214 1.147 20 0 BDADHL CN(C(=O)c1ccccc1[O-])C(C)(C)C(=O)[O-] ZINC000061149923 599825244 /nfs/dbraw/zinc/82/52/44/599825244.db2.gz FERBACPKOZPDHH-UHFFFAOYSA-N -2 3 237.255 1.327 20 0 BDADHL CC[C@H](C(=O)[O-])C(=O)Nc1cccc([O-])c1F ZINC000911431036 639645297 /nfs/dbraw/zinc/64/52/97/639645297.db2.gz IGJPPFITVXETJM-LURJTMIESA-N -2 3 241.218 1.581 20 0 BDADHL CC[C@@H](C(=O)[O-])C(=O)Nc1cccc([O-])c1F ZINC000911431037 639645739 /nfs/dbraw/zinc/64/57/39/639645739.db2.gz IGJPPFITVXETJM-ZCFIWIBFSA-N -2 3 241.218 1.581 20 0 BDADHL Cc1ccc(C(=O)N[C@@H]2CC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000923138357 644275231 /nfs/dbraw/zinc/27/52/31/644275231.db2.gz ALMXTOVRIRPHCV-WCBMZHEXSA-N -2 3 249.266 1.294 20 0 BDADHL O=C([O-])c1cnc(F)c([N-]c2cnns2)c1 ZINC001215122114 970638115 /nfs/dbraw/zinc/63/81/15/970638115.db2.gz FBWISBXWKGOASJ-UHFFFAOYSA-N -2 3 240.219 1.514 20 0 BDADHL C[C@@H]1CCCC[C@H]1Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227568597 975555148 /nfs/dbraw/zinc/55/51/48/975555148.db2.gz PDHZMPLCBCOVDH-RNFRBKRXSA-N -2 3 225.248 1.240 20 0 BDADHL O=C([O-])CCCO[N-]C(=O)CC1CCC1 ZINC001601995102 978879813 /nfs/dbraw/zinc/87/98/13/978879813.db2.gz MDMGUQRHALALEV-UHFFFAOYSA-N -2 3 215.249 1.089 20 0 BDADHL C[C@H](Sc1cc(Cl)nc(=O)[n-]1)C(=O)[O-] ZINC001604451527 979654203 /nfs/dbraw/zinc/65/42/03/979654203.db2.gz CDGVJYYGVDWNGC-VKHMYHEASA-N -2 3 234.664 1.401 20 0 BDADHL CC[C@@H](C)CO[N-]C(=O)CCCC(=O)[O-] ZINC001589456439 982805971 /nfs/dbraw/zinc/80/59/71/982805971.db2.gz KYWANSUMSXJGBC-MRVPVSSYSA-N -2 3 217.265 1.335 20 0 BDADHL C[C@@H](OCCP(=O)([O-])[O-])c1ccncc1F ZINC001224601730 973785935 /nfs/dbraw/zinc/78/59/35/973785935.db2.gz KEXATQVDLIOFLZ-SSDOTTSWSA-N -2 3 249.178 1.476 20 0 BDADHL CC[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000139531159 958968769 /nfs/dbraw/zinc/96/87/69/958968769.db2.gz QQHAFWWXQIWQBR-SECBINFHSA-N -2 3 224.212 1.412 20 0 BDADHL CCC[C@@H](C)[C@H](CC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571690 963536933 /nfs/dbraw/zinc/53/69/33/963536933.db2.gz XZVYDPIADHMKCW-SFYZADRCSA-N -2 3 241.291 1.876 20 0 BDADHL O=C([O-])c1sccc1Nc1cnc[n-]c1=O ZINC001215390302 970740854 /nfs/dbraw/zinc/74/08/54/970740854.db2.gz RGZQJLNNVDEDOU-UHFFFAOYSA-N -2 3 237.240 1.686 20 0 BDADHL C[C@@H](Oc1ccc(=O)[n-]n1)C1=CC=C[CH]1 ZINC001227093535 975263328 /nfs/dbraw/zinc/26/33/28/975263328.db2.gz NSFSEYGHLFYHDB-MRVPVSSYSA-N -2 3 203.221 1.650 20 0 BDADHL C[C@@H]1CC[C@@H](Oc2nc(=O)[n-]c(=O)[n-]2)C[C@H]1C ZINC001227571389 975560822 /nfs/dbraw/zinc/56/08/22/975560822.db2.gz SZZNNMVFBNVZOT-BWZBUEFSSA-N -2 3 239.275 1.486 20 0 BDADHL O=C([O-])CCC(=O)Nc1ccc(Cl)cc1[O-] ZINC001594997226 977909025 /nfs/dbraw/zinc/90/90/25/977909025.db2.gz DITMBOMZBOUVHD-UHFFFAOYSA-N -2 3 243.646 1.849 20 0 BDADHL O=C([O-])CCCO[N-]C(=O)CC1CCCCC1 ZINC001601995142 978880284 /nfs/dbraw/zinc/88/02/84/978880284.db2.gz NFJOIRKQEBNRKM-UHFFFAOYSA-N -2 3 243.303 1.869 20 0 BDADHL CC[C@H](CC(=O)[N-]OCCCC(=O)[O-])C(C)C ZINC001604980663 979793016 /nfs/dbraw/zinc/79/30/16/979793016.db2.gz KJRQYCIQTSSPRJ-SNVBAGLBSA-N -2 3 245.319 1.971 20 0 BDADHL [CH2]CC[N-]S(=O)(=O)c1cnccc1Cl ZINC001192922835 981206446 /nfs/dbraw/zinc/20/64/46/981206446.db2.gz RGKPPJXKNQGRBR-UHFFFAOYSA-N -2 3 233.700 1.237 20 0 BDADHL O=C([O-])c1ccc(-c2cc([O-])cc(F)c2)nn1 ZINC001241261148 982398447 /nfs/dbraw/zinc/39/84/47/982398447.db2.gz FORYQUWHRLNHMP-UHFFFAOYSA-N -2 3 234.186 1.687 20 0 BDADHL [CH2]CC[N-]S(=O)(=O)c1cc(OC)ccc1F ZINC001196793300 982490368 /nfs/dbraw/zinc/49/03/68/982490368.db2.gz TVTNNRVIVIPPJA-UHFFFAOYSA-N -2 3 246.283 1.337 20 0 BDADHL CC[C@@H](C)CCC(=O)[N-]OCCCC(=O)[O-] ZINC001594957452 982692419 /nfs/dbraw/zinc/69/24/19/982692419.db2.gz MAPBDUOOWHJMOX-SECBINFHSA-N -2 3 231.292 1.725 20 0 BDADHL C[C@H](CC(=O)[O-])CC(=O)[N-]OC/C=C/Cl ZINC001592391280 983159052 /nfs/dbraw/zinc/15/90/52/983159052.db2.gz GRORCBAXXRTZNC-AIYRYJHASA-N -2 3 235.667 1.288 20 0 BDADHL C/C(=C\COC(=O)c1cc2occc2[n-]1)C(=O)[O-] ZINC001588989042 984906191 /nfs/dbraw/zinc/90/61/91/984906191.db2.gz HUFXKABYXZHZKO-FARCUNLSSA-N -2 3 249.222 1.949 20 0 BDADHL CCCC[C@H](OC(=O)c1c[n-]nc1C)C(=O)[O-] ZINC001605252103 990417734 /nfs/dbraw/zinc/41/77/34/990417734.db2.gz TUHZQIOXUJNGON-VIFPVBQESA-N -2 3 240.259 1.518 20 0 BDADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)C(F)F ZINC001259956412 992055883 /nfs/dbraw/zinc/05/58/83/992055883.db2.gz KJHOITFAIVAOAA-UHFFFAOYSA-N -2 3 241.190 1.496 20 0 BDADHL C[C@@H](OC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001593536912 995598851 /nfs/dbraw/zinc/59/88/51/995598851.db2.gz BJNBAFYDGPJWDN-ZCFIWIBFSA-N -2 3 242.202 1.090 20 0 BDADHL CCN(CC(=O)[O-])C(=O)c1ccc(C)cc1[O-] ZINC000038015161 343365678 /nfs/dbraw/zinc/36/56/78/343365678.db2.gz IXWRTRUNVJPJMJ-UHFFFAOYSA-N -2 3 237.255 1.247 20 0 BDADHL CCN(C)C(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000040560767 343407332 /nfs/dbraw/zinc/40/73/32/343407332.db2.gz NCHLGWACZHHIFX-UHFFFAOYSA-N -2 3 238.243 1.574 20 0 BDADHL CCc1n[n-]c([N-]C(=O)c2cc(C(C)C)no2)n1 ZINC000359172281 345227019 /nfs/dbraw/zinc/22/70/19/345227019.db2.gz PJZVLXKJXBLTAE-UHFFFAOYSA-N -2 3 249.274 1.731 20 0 BDADHL CCC[C@@H](C(=O)[O-])[S@@](=O)c1cccc([O-])c1 ZINC000590901052 347584535 /nfs/dbraw/zinc/58/45/35/347584535.db2.gz RBNGOPYIYMBMQJ-QFYYESIMSA-N -2 3 242.296 1.753 20 0 BDADHL CN(CCC(=O)[O-])Cc1cc([O-])ccc1Cl ZINC000629486101 361091400 /nfs/dbraw/zinc/09/14/00/361091400.db2.gz WQLKYIJSHIOHCR-UHFFFAOYSA-N -2 3 243.690 1.952 20 0 BDADHL CCc1cc(=O)n(-c2cn[n-]c(=O)c2Cl)[n-]1 ZINC000614185162 363747427 /nfs/dbraw/zinc/74/74/27/363747427.db2.gz LCELLSNAIXMOCC-UHFFFAOYSA-N -2 3 240.650 1.338 20 0 BDADHL O=C([O-])CCCCNC(=O)c1ccccc1[O-] ZINC000039076974 384181032 /nfs/dbraw/zinc/18/10/32/384181032.db2.gz PCHQLHRICSNYKZ-UHFFFAOYSA-N -2 3 237.255 1.377 20 0 BDADHL O=C(Nc1cccc([O-])c1F)c1cncc([O-])c1 ZINC000559567066 385039556 /nfs/dbraw/zinc/03/95/56/385039556.db2.gz LCYCTKCFFZIHDZ-UHFFFAOYSA-N -2 3 248.213 1.884 20 0 BDADHL CC(=O)c1[n-]c(=N[C@@H](C)CC(=O)[O-])sc1C ZINC000416428190 386304601 /nfs/dbraw/zinc/30/46/01/386304601.db2.gz SXRBAGXNYIQJQQ-YFKPBYRVSA-N -2 3 242.300 1.351 20 0 BDADHL Cc1cccc(C(=O)N[C@H](C)CC(=O)[O-])c1[O-] ZINC000035904939 387583058 /nfs/dbraw/zinc/58/30/58/387583058.db2.gz FTCOQFLQYIRPNJ-MRVPVSSYSA-N -2 3 237.255 1.294 20 0 BDADHL Cc1[n-][nH]c(=O)c1NC(=O)c1cc(C)ccc1[O-] ZINC000646410336 388353155 /nfs/dbraw/zinc/35/31/55/388353155.db2.gz DITXOUJORLLAGP-UHFFFAOYSA-N -2 3 247.254 1.690 20 0 BDADHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccccc1[O-] ZINC000044611509 487596196 /nfs/dbraw/zinc/59/61/96/487596196.db2.gz UKPMZQGKCXHVNG-VIFPVBQESA-N -2 3 237.255 1.327 20 0 BDADHL C[C@H]1CN(C(=O)c2cccc([O-])c2)C[C@@H]1C(=O)[O-] ZINC000104202714 177227854 /nfs/dbraw/zinc/22/78/54/177227854.db2.gz XMVALSMQQDGBPI-KWQFWETISA-N -2 3 249.266 1.185 20 0 BDADHL O=C([O-])NCCC(=O)Nc1ccc([O-])cc1F ZINC000834229191 587749476 /nfs/dbraw/zinc/74/94/76/587749476.db2.gz ZTGMIIRPXDCZHV-UHFFFAOYSA-N -2 3 242.206 1.128 20 0 BDADHL O=C([O-])NCc1ccc([O-])c(Br)c1 ZINC000834247005 587750335 /nfs/dbraw/zinc/75/03/35/587750335.db2.gz GFCZXHGKXTVLSX-UHFFFAOYSA-N -2 3 246.060 1.922 20 0 BDADHL CC(C)[C@@H](NC(=O)c1cccc([O-])c1)C(=O)[O-] ZINC000022150498 590342610 /nfs/dbraw/zinc/34/26/10/590342610.db2.gz IJAILNPBJMOYTE-SNVBAGLBSA-N -2 3 237.255 1.231 20 0 BDADHL O=C([O-])CCCOC(=O)c1ccc([O-])cc1 ZINC000203905966 597823436 /nfs/dbraw/zinc/82/34/36/597823436.db2.gz YBBBNWPSHPNHKE-UHFFFAOYSA-N -2 3 224.212 1.414 20 0 BDADHL O=C([O-])COC(=O)c1cc2occc2[n-]1 ZINC001602075458 978890457 /nfs/dbraw/zinc/89/04/57/978890457.db2.gz BIAPCSSQBNWVMU-UHFFFAOYSA-N -2 3 209.157 1.002 20 0 BDADHL CO[N-]C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC001339862890 978929108 /nfs/dbraw/zinc/92/91/08/978929108.db2.gz NUUAOADUKDLQIZ-UHFFFAOYSA-N -2 3 239.275 1.079 20 0 BDADHL Cc1ccc(-c2nc([C@@H](C)C(=O)[O-])no2)c([O-])c1 ZINC001611162556 970919082 /nfs/dbraw/zinc/91/90/82/970919082.db2.gz IWAPPIQGXSKCAH-SSDOTTSWSA-N -2 3 248.238 1.939 20 0 BDADHL O=P([O-])([O-])CCOCCOC1CCCC1 ZINC001224601110 973785390 /nfs/dbraw/zinc/78/53/90/973785390.db2.gz DNONSUMGPRRYBY-UHFFFAOYSA-N -2 3 238.220 1.140 20 0 BDADHL COC(C)(C)C[C@H](C)OCCP(=O)([O-])[O-] ZINC001224602105 973788238 /nfs/dbraw/zinc/78/82/38/973788238.db2.gz NZXDOLIKBUEWPC-QMMMGPOBSA-N -2 3 240.236 1.384 20 0 BDADHL C[C@@H](Cc1ccccc1)OCCP(=O)([O-])[O-] ZINC001224607807 973792054 /nfs/dbraw/zinc/79/20/54/973792054.db2.gz WBTFNFBUNFMAIT-JTQLQIEISA-N -2 3 244.227 1.812 20 0 BDADHL CC[C@@](N)(CO)Nc1cc([S-])cc([S-])c1 ZINC001170865083 971992565 /nfs/dbraw/zinc/99/25/65/971992565.db2.gz YIZFPQZSPNUGLW-JTQLQIEISA-N -2 3 244.385 1.733 20 0 BDADHL CC[C@](N)(CO)Nc1cc([S-])cc([S-])c1 ZINC001170865085 971994701 /nfs/dbraw/zinc/99/47/01/971994701.db2.gz YIZFPQZSPNUGLW-SNVBAGLBSA-N -2 3 244.385 1.733 20 0 BDADHL Cc1ccc([O-])c(CN(CC(=O)[O-])C2CC2)n1 ZINC000091996673 958154753 /nfs/dbraw/zinc/15/47/53/958154753.db2.gz WAZDPHQDJUIJGO-UHFFFAOYSA-N -2 3 236.271 1.145 20 0 BDADHL CC[C@H](C)CC[C@@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227570387 963538459 /nfs/dbraw/zinc/53/84/59/963538459.db2.gz JLLGSIAQVHARMO-JGVFFNPUSA-N -2 3 241.291 1.876 20 0 BDADHL C[C@H]1CCC[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233938531 965622819 /nfs/dbraw/zinc/62/28/19/965622819.db2.gz CXJXEAVNEQOMCT-JGVFFNPUSA-N -2 3 248.286 1.604 20 0 BDADHL O=C([O-])Cc1nccnc1-c1ccc([O-])cc1F ZINC001206038430 968003951 /nfs/dbraw/zinc/00/39/51/968003951.db2.gz YNSQVQFMLZXQIW-UHFFFAOYSA-N -2 3 248.213 1.615 20 0 BDADHL O=C([O-])Cc1cccc(Nc2cnc[n-]c2=O)c1 ZINC001210068770 969787473 /nfs/dbraw/zinc/78/74/73/969787473.db2.gz DFBXMXPTRQVNET-UHFFFAOYSA-N -2 3 245.238 1.553 20 0 BDADHL C[C@@H]1CC[C@H](OCCP(=O)([O-])[O-])C1 ZINC001224605294 973790715 /nfs/dbraw/zinc/79/07/15/973790715.db2.gz HIYACMVWJLYBRB-SFYZADRCSA-N -2 3 208.194 1.369 20 0 BDADHL CCCCOC[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224606782 973791771 /nfs/dbraw/zinc/79/17/71/973791771.db2.gz RSUDSUNNQPRMRC-SECBINFHSA-N -2 3 240.236 1.386 20 0 BDADHL O=S(=O)([N-]c1cc(F)ccc1[O-])C1CCC1 ZINC000717812243 973933913 /nfs/dbraw/zinc/93/39/13/973933913.db2.gz XBRBHMBTUIGKMU-UHFFFAOYSA-N -2 3 245.275 1.826 20 0 BDADHL C[C@@H]1CCC[C@@H](Oc2nc(=O)[n-]c(=O)[n-]2)[C@H]1C ZINC001227569487 975551700 /nfs/dbraw/zinc/55/17/00/975551700.db2.gz BXZJHTALXVPVFI-GJMOJQLCSA-N -2 3 239.275 1.486 20 0 BDADHL O=c1nc(O[C@@H]2CC3CCC2CC3)[n-]c(=O)[n-]1 ZINC001227570444 975562289 /nfs/dbraw/zinc/56/22/89/975562289.db2.gz KQEISTROQOIVMC-KAVNDROISA-N -2 3 237.259 1.240 20 0 BDADHL CC[C@H](Oc1nc(=O)[n-]c(=O)[n-]1)C(C)(C)C ZINC001227570549 975562319 /nfs/dbraw/zinc/56/23/19/975562319.db2.gz MDYVLFZCPDKKQY-LURJTMIESA-N -2 3 227.264 1.486 20 0 BDADHL CC(C)C[C@H](Oc1nc(=O)[n-]c(=O)[n-]1)C(C)C ZINC001227571318 975564939 /nfs/dbraw/zinc/56/49/39/975564939.db2.gz RQLDNRRNPXRSJD-QMMMGPOBSA-N -2 3 241.291 1.732 20 0 BDADHL O=C([O-])c1cncc(Nc2ncc(F)cc2[O-])c1 ZINC001175840474 977756971 /nfs/dbraw/zinc/75/69/71/977756971.db2.gz OVSWSDTYAAHNOP-UHFFFAOYSA-N -2 3 249.201 1.763 20 0 BDADHL C[C@@H]1CC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233939065 978735086 /nfs/dbraw/zinc/73/50/86/978735086.db2.gz GVXVROZHDLYALL-RQJHMYQMSA-N -2 3 234.259 1.214 20 0 BDADHL C[C@H]1CCCC[C@H]1Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233936555 978736069 /nfs/dbraw/zinc/73/60/69/978736069.db2.gz YNLGNGCETBWKQK-IONNQARKSA-N -2 3 248.286 1.604 20 0 BDADHL CC[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)C(C)C ZINC001233944465 978737801 /nfs/dbraw/zinc/73/78/01/978737801.db2.gz NGTPPDGHUGLWIR-QMMMGPOBSA-N -2 3 236.275 1.460 20 0 BDADHL CN(CCC(=O)[O-])Cc1c(F)ccc([O-])c1F ZINC001604149492 979585045 /nfs/dbraw/zinc/58/50/45/979585045.db2.gz MASXMGHJXYYQGY-UHFFFAOYSA-N -2 3 245.225 1.577 20 0 BDADHL C[C@@H]1CCC[C@]1(C)C(=O)[N-]OCCCC(=O)[O-] ZINC001604727502 979709680 /nfs/dbraw/zinc/70/96/80/979709680.db2.gz VBYWXGJOCCXNPF-SKDRFNHKSA-N -2 3 243.303 1.725 20 0 BDADHL O=C([O-])CCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001606103686 979955588 /nfs/dbraw/zinc/95/55/88/979955588.db2.gz MGVDZVHPGPLCEM-UHFFFAOYSA-N -2 3 249.226 1.072 20 0 BDADHL O=C(Nc1ccc(F)c([O-])c1)c1ccncc1[O-] ZINC001188637039 980684171 /nfs/dbraw/zinc/68/41/71/980684171.db2.gz PVNXYHZEPWOQMV-UHFFFAOYSA-N -2 3 248.213 1.884 20 0 BDADHL [CH2]CC[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198258061 982683523 /nfs/dbraw/zinc/68/35/23/982683523.db2.gz CIWBGAXPMMRZBV-UHFFFAOYSA-N -2 3 233.700 1.237 20 0 BDADHL CC[C@H](C)S(=O)(=O)[N-]c1nc(C)ccc1[O-] ZINC001260723869 992135943 /nfs/dbraw/zinc/13/59/43/992135943.db2.gz DKKXSYACAPSXGI-QMMMGPOBSA-N -2 3 244.316 1.636 20 0 BDADHL CN(CC(=O)[O-])Cc1ccc([O-])c(F)c1F ZINC001573998722 992788432 /nfs/dbraw/zinc/78/84/32/992788432.db2.gz FRZQHOMXFXGVAX-UHFFFAOYSA-N -2 3 231.198 1.187 20 0 BDADHL CCCC(C)(C)C(=O)N=c1ccc([O-])n[n-]1 ZINC000649935196 398191001 /nfs/dbraw/zinc/19/10/01/398191001.db2.gz RJAOAQZOKYCHFL-UHFFFAOYSA-N -2 3 223.276 1.369 20 0 BDADHL C[C@@H](C/N=C/c1ccccc1[O-])C(=O)[O-] ZINC000238428111 343257441 /nfs/dbraw/zinc/25/74/41/343257441.db2.gz ZXEMMASISXHLKG-OTIXFSKASA-N -2 3 207.229 1.532 20 0 BDADHL Cn1cc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cn1 ZINC000351863781 538709713 /nfs/dbraw/zinc/70/97/13/538709713.db2.gz VGVVXHCYPRHMJT-UHFFFAOYSA-N -2 3 242.238 1.442 20 0 BDADHL CCCc1c(C)[n-]n(-c2nnc(C)c(=O)[n-]2)c1=O ZINC000614184426 363747747 /nfs/dbraw/zinc/74/77/47/363747747.db2.gz AXDUBJAKANUSPQ-QMMMGPOBSA-N -2 3 249.274 1.024 20 0 BDADHL Cc1ccc(NC(=O)[C@@H](C(=O)[O-])C2CC2)c([O-])c1 ZINC000663037783 410054533 /nfs/dbraw/zinc/05/45/33/410054533.db2.gz KSXKVEOAAHESFW-NSHDSACASA-N -2 3 249.266 1.750 20 0 BDADHL Cc1ccc(NC(=O)[C@H](C(=O)[O-])C2CC2)c([O-])c1 ZINC000663037782 410054673 /nfs/dbraw/zinc/05/46/73/410054673.db2.gz KSXKVEOAAHESFW-LLVKDONJSA-N -2 3 249.266 1.750 20 0 BDADHL O=S(=O)([N-]c1c([O-])cccc1F)C1CC1 ZINC000680808582 487648797 /nfs/dbraw/zinc/64/87/97/487648797.db2.gz BWFVBTQUGHSQKX-UHFFFAOYSA-N -2 3 231.248 1.435 20 0 BDADHL O=C([O-])c1cnc(C=Cc2cccnc2)[n-]c1=O ZINC000670370020 488106668 /nfs/dbraw/zinc/10/66/68/488106668.db2.gz QXGDFRNFKOXZMN-ONEGZZNKSA-N -2 3 243.222 1.446 20 0 BDADHL CCO[N-]C(=O)c1c(F)ccc([O-])c1F ZINC000798154742 586138410 /nfs/dbraw/zinc/13/84/10/586138410.db2.gz QSEGFUCOOOJAMP-UHFFFAOYSA-N -2 3 217.171 1.352 20 0 BDADHL C[C@H](CNCc1c(F)ccc([O-])c1F)C(=O)[O-] ZINC000848641098 588403221 /nfs/dbraw/zinc/40/32/21/588403221.db2.gz XUUICABKSSWIAD-ZCFIWIBFSA-N -2 3 245.225 1.481 20 0 BDADHL CCCO[N-]C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000911808258 639829630 /nfs/dbraw/zinc/82/96/30/639829630.db2.gz AIMMSPMAQUDBLD-UHFFFAOYSA-N -2 3 237.255 1.385 20 0 BDADHL C[C@@H]1CCC[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)C1 ZINC001227566500 963535433 /nfs/dbraw/zinc/53/54/33/963535433.db2.gz GRCVUMRCJLOVMH-RQJHMYQMSA-N -2 3 225.248 1.240 20 0 BDADHL O=C([O-])CCCO[N-]C(=O)[C@]12C[C@H]1CCC2 ZINC001608716587 980272422 /nfs/dbraw/zinc/27/24/22/980272422.db2.gz VLBCMTWAINPCHF-LDYMZIIASA-N -2 3 227.260 1.089 20 0 BDADHL CCC1(C(=O)[N-]OCCCC(=O)[O-])CCCC1 ZINC001595366444 980815072 /nfs/dbraw/zinc/81/50/72/980815072.db2.gz JXPMZSVXYIALFA-UHFFFAOYSA-N -2 3 243.303 1.869 20 0 BDADHL [CH2]CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001256548800 970859912 /nfs/dbraw/zinc/85/99/12/970859912.db2.gz VPRKGTPOVNLQQP-UHFFFAOYSA-N -2 3 238.741 1.904 20 0 BDADHL CC(C)C[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224603285 973795542 /nfs/dbraw/zinc/79/55/42/973795542.db2.gz XJEXMWIORZXBPV-MRVPVSSYSA-N -2 3 210.210 1.615 20 0 BDADHL O=P([O-])([O-])CCO[C@@H]1C=CCCC1 ZINC001224606527 973791308 /nfs/dbraw/zinc/79/13/08/973791308.db2.gz PVKWVOJDQXUZQQ-MRVPVSSYSA-N -2 3 206.178 1.289 20 0 BDADHL CC[C@@H](CNC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000087483601 949076018 /nfs/dbraw/zinc/07/60/18/949076018.db2.gz AZNSNFAJFGGTMO-QMMMGPOBSA-N -2 3 237.255 1.233 20 0 BDADHL O=C([O-])C1(NC(=O)c2ccccc2[O-])CCC1 ZINC000164885108 959265300 /nfs/dbraw/zinc/26/53/00/959265300.db2.gz DTXPIGRVXLDGBT-UHFFFAOYSA-N -2 3 235.239 1.129 20 0 BDADHL Cc1nc(Nc2ccc(C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000163071765 967348224 /nfs/dbraw/zinc/34/82/24/967348224.db2.gz LXZOOHYRPBHAKS-UHFFFAOYSA-N -2 3 245.238 1.932 20 0 BDADHL O=C([O-])c1cc(F)cc(Nc2cnc[n-]c2=O)c1 ZINC001209887042 969680910 /nfs/dbraw/zinc/68/09/10/969680910.db2.gz DZUPQMXFBQWLSP-UHFFFAOYSA-N -2 3 249.201 1.763 20 0 BDADHL CCc1ccc(-c2nc(CC(=O)[O-])no2)c([O-])c1 ZINC001610423661 970743022 /nfs/dbraw/zinc/74/30/22/970743022.db2.gz ZQKRSPKSXVOJLC-UHFFFAOYSA-N -2 3 248.238 1.632 20 0 BDADHL CC[C@@H](COC)OCCCCP(=O)([O-])[O-] ZINC001225023145 974148506 /nfs/dbraw/zinc/14/85/06/974148506.db2.gz VJWPKLZQJQDPSQ-VIFPVBQESA-N -2 3 240.236 1.386 20 0 BDADHL C[C@H](Oc1cc(=O)[n-]cn1)C1=CC=C[CH]1 ZINC001226945082 975171668 /nfs/dbraw/zinc/17/16/68/975171668.db2.gz OUXVPFBHFHWPNP-QMMMGPOBSA-N -2 3 203.221 1.650 20 0 BDADHL C[C@H]1CCC[C@H](C)C1Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569621 975553561 /nfs/dbraw/zinc/55/35/61/975553561.db2.gz DIJXUPBPPXEAJO-BQBZGAKWSA-N -2 3 239.275 1.486 20 0 BDADHL CC[C@H](Oc1nc(=O)[n-]c(=O)[n-]1)C(C)C ZINC001227569737 975556145 /nfs/dbraw/zinc/55/61/45/975556145.db2.gz GFWJYHGRIVHARO-LURJTMIESA-N -2 3 213.237 1.096 20 0 BDADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)C1CCCC1 ZINC001233940540 978737538 /nfs/dbraw/zinc/73/75/38/978737538.db2.gz XQHNVCDEHRYZHE-SSDOTTSWSA-N -2 3 248.286 1.604 20 0 BDADHL O=C([O-])CCCO[N-]C(=O)C1(C2CC2)CCC1 ZINC001601995370 978881411 /nfs/dbraw/zinc/88/14/11/978881411.db2.gz QSBLDKREUZPKHF-UHFFFAOYSA-N -2 3 241.287 1.479 20 0 BDADHL C[C@H]1CCC[C@]1(C)C(=O)[N-]OCCCC(=O)[O-] ZINC001604727496 979709663 /nfs/dbraw/zinc/70/96/63/979709663.db2.gz VBYWXGJOCCXNPF-CABZTGNLSA-N -2 3 243.303 1.725 20 0 BDADHL Cc1cc(N[C@@H](C)C(=O)[O-])cc(-c2nn[n-]n2)c1 ZINC001605719683 979908386 /nfs/dbraw/zinc/90/83/86/979908386.db2.gz MFVKKARSKCSTPC-ZETCQYMHSA-N -2 3 247.258 1.060 20 0 BDADHL CCCOC(=O)NCCCCP(=O)([O-])[O-] ZINC001194142063 981592345 /nfs/dbraw/zinc/59/23/45/981592345.db2.gz RSPFNPCQMPWRRZ-UHFFFAOYSA-N -2 3 239.208 1.081 20 0 BDADHL O=C([O-])c1ccc(-c2ccccc2[O-])nn1 ZINC001241009776 982101022 /nfs/dbraw/zinc/10/10/22/982101022.db2.gz WYIVVQIPRWGDON-UHFFFAOYSA-N -2 3 216.196 1.547 20 0 BDADHL C[C@H](C(=O)[O-])C(=O)Nc1c([O-])cccc1Cl ZINC001588575703 982320469 /nfs/dbraw/zinc/32/04/69/982320469.db2.gz IQWHHHRHHBFBAQ-YFKPBYRVSA-N -2 3 243.646 1.705 20 0 BDADHL O=C([O-])c1cncc(-c2cc([O-])cc(F)c2)n1 ZINC001241256161 982395329 /nfs/dbraw/zinc/39/53/29/982395329.db2.gz OVJRODBBQFDPLT-UHFFFAOYSA-N -2 3 234.186 1.687 20 0 BDADHL CC[C@@H](C)CON=c1cnc(-c2nn[n-]n2)c[n-]1 ZINC001590410322 982933941 /nfs/dbraw/zinc/93/39/41/982933941.db2.gz QLXZQXNXVXHLOE-SSDOTTSWSA-N -2 3 249.278 1.046 20 0 BDADHL C[C@H](CC(=O)[O-])CC(=O)[N-]OC/C=C\Cl ZINC001592391286 983157060 /nfs/dbraw/zinc/15/70/60/983157060.db2.gz GRORCBAXXRTZNC-XDVGHUOJSA-N -2 3 235.667 1.288 20 0 BDADHL O=S(=O)(CC1CC1)[N-]c1ccc(F)cc1[O-] ZINC000083140621 983605856 /nfs/dbraw/zinc/60/58/56/983605856.db2.gz DPOQCJFTCGGDQJ-UHFFFAOYSA-N -2 3 245.275 1.683 20 0 BDADHL CC(C)(C)c1cc(=O)n(-c2cc(=O)[n-]cn2)[n-]1 ZINC001245929418 987193261 /nfs/dbraw/zinc/19/32/61/987193261.db2.gz LRBDTXGLXVSEPD-UHFFFAOYSA-N -2 3 234.259 1.371 20 0 BDADHL CC(C)(C(=O)[O-])C(=O)Nc1ccccc1[O-] ZINC000649465889 398266465 /nfs/dbraw/zinc/26/64/65/398266465.db2.gz RJVXNEZKNGQGTN-UHFFFAOYSA-N -2 3 223.228 1.442 20 0 BDADHL O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000634824442 344665553 /nfs/dbraw/zinc/66/55/53/344665553.db2.gz TYSCCADPYWKWHK-BQBZGAKWSA-N -2 3 239.202 1.191 20 0 BDADHL Cc1cccc(C(=O)NCCCC(=O)[O-])c1[O-] ZINC000019484562 179016467 /nfs/dbraw/zinc/01/64/67/179016467.db2.gz ZWIFCBLWEJVQBF-UHFFFAOYSA-N -2 3 237.255 1.295 20 0 BDADHL CCc1cc(=NC(=O)c2cccc(C)c2[O-])[n-]o1 ZINC000606933356 350629844 /nfs/dbraw/zinc/62/98/44/350629844.db2.gz FFCJVYBXPZPTDI-UHFFFAOYSA-N -2 3 246.266 1.925 20 0 BDADHL Cc1ccc(C(=O)NC[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000054309686 384829021 /nfs/dbraw/zinc/82/90/21/384829021.db2.gz PAUDPAVVUCIYTQ-MRVPVSSYSA-N -2 3 237.255 1.151 20 0 BDADHL CC[C@@H]1CCCC[C@@H]1C(=O)N=c1ccc([O-])n[n-]1 ZINC000361881134 385324478 /nfs/dbraw/zinc/32/44/78/385324478.db2.gz RMTHBRVVQFORGD-ZJUUUORDSA-N -2 3 249.314 1.759 20 0 BDADHL O=C(Nc1ccc([O-])cc1F)c1cncc([O-])c1 ZINC000085203713 388085144 /nfs/dbraw/zinc/08/51/44/388085144.db2.gz NVEOVEYEEFCTJD-UHFFFAOYSA-N -2 3 248.213 1.884 20 0 BDADHL CCc1[n-][nH]c(=NC(=O)c2ncccc2[O-])c1C ZINC000564349111 388533482 /nfs/dbraw/zinc/53/34/82/388533482.db2.gz KOHMDIRYBHAYRR-UHFFFAOYSA-N -2 3 246.270 1.055 20 0 BDADHL C[C@@H](CNCc1cccc([O-])c1Cl)C(=O)[O-] ZINC000656095415 411176024 /nfs/dbraw/zinc/17/60/24/411176024.db2.gz CVLJUKQLADSWKU-ZETCQYMHSA-N -2 3 243.690 1.856 20 0 BDADHL CCN(C(=O)c1ccccc1[O-])[C@@H](C)C(=O)[O-] ZINC000659773744 411452450 /nfs/dbraw/zinc/45/24/50/411452450.db2.gz UWRPABPXNZHYRV-QMMMGPOBSA-N -2 3 237.255 1.327 20 0 BDADHL CC(C)(C)C(=O)[N-]OCc1occc1C(=O)[O-] ZINC000736242817 584993206 /nfs/dbraw/zinc/99/32/06/584993206.db2.gz ZNHOYJMGYFVOEL-UHFFFAOYSA-N -2 3 241.243 1.572 20 0 BDADHL CO[N-]C(=O)C[C@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000829060868 587481126 /nfs/dbraw/zinc/48/11/26/587481126.db2.gz FOBGKBAIMPAGKM-IUCAKERBSA-N -2 3 244.291 1.080 20 0 BDADHL COC(=O)c1ccc(NC(=O)[O-])c([O-])c1 ZINC000831428582 587606532 /nfs/dbraw/zinc/60/65/32/587606532.db2.gz RAWUFZNXPUTRLM-UHFFFAOYSA-N -2 3 211.173 1.269 20 0 BDADHL O=C([O-])c1ccc(C=Cc2nccc(=O)[n-]2)[nH]1 ZINC000833312094 587705546 /nfs/dbraw/zinc/70/55/46/587705546.db2.gz JGOHXFLIJGTEFP-DUXPYHPUSA-N -2 3 231.211 1.379 20 0 BDADHL Cc1cc([O-])ccc1C(=O)OCCCC(=O)[O-] ZINC000833746639 587730228 /nfs/dbraw/zinc/73/02/28/587730228.db2.gz FKDQQJTZPDPGLC-UHFFFAOYSA-N -2 3 238.239 1.722 20 0 BDADHL C[C@@](NC(=O)c1ccccc1[O-])(C(=O)[O-])C1CC1 ZINC000037366482 600611582 /nfs/dbraw/zinc/61/15/82/600611582.db2.gz MTJAMPGUWGGBDN-ZDUSSCGKSA-N -2 3 249.266 1.375 20 0 BDADHL CC(C)(CC(=O)[O-])[N-]C(=O)C(F)(F)C(F)F ZINC000232514883 601286859 /nfs/dbraw/zinc/28/68/59/601286859.db2.gz ACJMFHQNMPLSOG-UHFFFAOYSA-N -2 3 245.172 1.256 20 0 BDADHL O=C([O-])C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000042144153 604599315 /nfs/dbraw/zinc/59/93/15/604599315.db2.gz PZSPSHDHVFJFRA-VIFPVBQESA-N -2 3 249.266 1.472 20 0 BDADHL CCCO[N-]C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000911552889 639665279 /nfs/dbraw/zinc/66/52/79/639665279.db2.gz NRQZYSUAJBOPNQ-UHFFFAOYSA-N -2 3 237.259 1.131 20 0 BDADHL CCCO[N-]C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000911810846 639832470 /nfs/dbraw/zinc/83/24/70/639832470.db2.gz VUBIUCQIPZBTON-UHFFFAOYSA-N -2 3 243.303 1.725 20 0 BDADHL