smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2ccccc2C(=O)[O-])cn1 ZINC000062948292 349502212 /nfs/dbraw/zinc/50/22/12/349502212.db2.gz YSOVYIZKWMWNNY-UHFFFAOYSA-N -1 0 213.236 2.755 20 0 BFADRM CCC[C@@H](C)C(=O)Nc1ccccc1C(=O)[O-] ZINC000018029367 538919445 /nfs/dbraw/zinc/91/94/45/538919445.db2.gz DVPFBKWGYAYKDN-SECBINFHSA-N -1 0 235.283 2.760 20 0 BFADRM CCC(CC)C(=O)Nc1sccc1C(=O)[O-] ZINC000019384758 168342284 /nfs/dbraw/zinc/34/22/84/168342284.db2.gz YUPYZFKIYQBDFB-UHFFFAOYSA-N -1 0 241.312 2.821 20 0 BFADRM CCC(CC)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000053200097 168341146 /nfs/dbraw/zinc/34/11/46/168341146.db2.gz BGFFDDWRMWGPEA-UHFFFAOYSA-N -1 0 249.310 2.688 20 0 BFADRM CCC(CC)CC(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000331539743 168344937 /nfs/dbraw/zinc/34/49/37/168344937.db2.gz VJRYXIUAKDLQTB-UHFFFAOYSA-N -1 0 247.342 2.541 20 0 BFADRM Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCCCCCC2)n1 ZINC000192525174 178203543 /nfs/dbraw/zinc/20/35/43/178203543.db2.gz MTKQJXSHIZHVFL-GFCCVEGCSA-N -1 0 249.358 2.818 20 0 BFADRM Cc1cc([C@@H](C)[N-]C(=O)C(F)(F)F)ccc1F ZINC000267827992 178221184 /nfs/dbraw/zinc/22/11/84/178221184.db2.gz JIGUJCZPRTUKBG-SSDOTTSWSA-N -1 0 249.207 2.874 20 0 BFADRM CCC(CC)CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC000132953001 168358460 /nfs/dbraw/zinc/35/84/60/168358460.db2.gz DZJSMOQUKBOQOY-UHFFFAOYSA-N -1 0 249.310 2.551 20 0 BFADRM C1=CC[C@@H](CN=c2[n-]c(C3CCC3)no2)CC1 ZINC000576464194 365602254 /nfs/dbraw/zinc/60/22/54/365602254.db2.gz LGAZKDPKUVWOSY-SNVBAGLBSA-N -1 0 233.315 2.527 20 0 BFADRM Cc1cc2ccccc2nc1NC[C@@H](C)C(=O)[O-] ZINC000063105346 178298418 /nfs/dbraw/zinc/29/84/18/178298418.db2.gz XRTDBPATMMTNMO-SNVBAGLBSA-N -1 0 244.294 2.676 20 0 BFADRM CC(C)C(C)(C)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000649458613 398259771 /nfs/dbraw/zinc/25/97/71/398259771.db2.gz YQLYXHXYXQJCFI-UHFFFAOYSA-N -1 0 249.310 2.549 20 0 BFADRM Cc1ccc(C(=O)N(C)CC(C)(C)C)c(O)c1 ZINC000045089496 178376414 /nfs/dbraw/zinc/37/64/14/178376414.db2.gz CZXUTIKBGONFCL-UHFFFAOYSA-N -1 0 235.327 2.819 20 0 BFADRM Cc1nn(C)c(-c2cccc(C)c2C)c1C(=O)[O-] ZINC000259140046 349560577 /nfs/dbraw/zinc/56/05/77/349560577.db2.gz IMWDIEGQXNYKMQ-UHFFFAOYSA-N -1 0 244.294 2.711 20 0 BFADRM C1=C(CN=c2nc(C3CC3)[n-]s2)CCCC1 ZINC000379754851 361836463 /nfs/dbraw/zinc/83/64/63/361836463.db2.gz TUAZXRAEKGPLHO-UHFFFAOYSA-N -1 0 235.356 2.750 20 0 BFADRM Cc1nn(C)cc1-c1cc(C(=O)[O-])c(C)cc1C ZINC000231746613 342692510 /nfs/dbraw/zinc/69/25/10/342692510.db2.gz BPOBTYVRTZQCCT-UHFFFAOYSA-N -1 0 244.294 2.711 20 0 BFADRM CC1(c2cc(=O)n(-c3ccc(F)cc3)[n-]2)CC1 ZINC000634583106 342800393 /nfs/dbraw/zinc/80/03/93/342800393.db2.gz LMOQZOOMQMGYLQ-UHFFFAOYSA-N -1 0 232.258 2.719 20 0 BFADRM CC1(c2cc(=O)n(-c3ccccc3)[n-]2)CC1 ZINC000634581831 342798790 /nfs/dbraw/zinc/79/87/90/342798790.db2.gz FHSCMONJKNYPNZ-UHFFFAOYSA-N -1 0 214.268 2.579 20 0 BFADRM CC(C)CCN(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000042458149 538977805 /nfs/dbraw/zinc/97/78/05/538977805.db2.gz YIOHEVDHWJLXHM-UHFFFAOYSA-N -1 0 249.310 2.503 20 0 BFADRM CC(C)c1noc(=NC[C@@H]2CCCC23CC3)[n-]1 ZINC000624756575 342825273 /nfs/dbraw/zinc/82/52/73/342825273.db2.gz DTPRJGUNWWBKGP-JTQLQIEISA-N -1 0 235.331 2.607 20 0 BFADRM CCCN(CCCCC(=O)[O-])CC(F)(F)F ZINC000042772006 538978911 /nfs/dbraw/zinc/97/89/11/538978911.db2.gz INIIZXRXDYMXPN-UHFFFAOYSA-N -1 0 241.253 2.516 20 0 BFADRM CC[C@H](C)c1cc(=O)n(Cc2ccccc2)[n-]1 ZINC000634583775 342815577 /nfs/dbraw/zinc/81/55/77/342815577.db2.gz HMJOUEOMIOOARQ-NSHDSACASA-N -1 0 230.311 2.821 20 0 BFADRM CCc1cc(=O)[nH]c(S[C@H]2C=CCCC2)n1 ZINC000195073001 539009324 /nfs/dbraw/zinc/00/93/24/539009324.db2.gz BOYRRWZJTMCPAJ-JTQLQIEISA-N -1 0 236.340 2.533 20 0 BFADRM Cc1c(-c2cccs2)[n-]n(C2CCCC2)c1=O ZINC000634588294 342934038 /nfs/dbraw/zinc/93/40/38/342934038.db2.gz OBKOCADPNHSYNJ-VIFPVBQESA-N -1 0 248.351 2.873 20 0 BFADRM Cc1ccc(N(C)CCCCC(=O)[O-])cc1 ZINC000050005132 398333548 /nfs/dbraw/zinc/33/35/48/398333548.db2.gz YWUXZZPSCOVIIW-UHFFFAOYSA-N -1 0 221.300 2.686 20 0 BFADRM C[C@H]1CCC2=NN(CC3CCCC3)C(=O)[C@H]2C1 ZINC000634591801 342943758 /nfs/dbraw/zinc/94/37/58/342943758.db2.gz NWNKDIKMGODPAQ-JQWIXIFHSA-N -1 0 234.343 2.811 20 0 BFADRM COc1ccc(-n2[n-]c(C3(C)CC3)cc2=O)cc1 ZINC000634593146 342950312 /nfs/dbraw/zinc/95/03/12/342950312.db2.gz HDIXULFXPBZHQQ-UHFFFAOYSA-N -1 0 244.294 2.588 20 0 BFADRM Cc1[n-]n(-c2nccc3sccc32)c(=O)c1C ZINC000634596322 342966107 /nfs/dbraw/zinc/96/61/07/342966107.db2.gz CENJCBRMAMLRKU-SSDOTTSWSA-N -1 0 245.307 2.655 20 0 BFADRM CCc1[n-]n([C@@H](C)c2ccccc2)c(=O)c1C ZINC000634599975 342990802 /nfs/dbraw/zinc/99/08/02/342990802.db2.gz UKESEIFYVBEELG-MNOVXSKESA-N -1 0 230.311 2.992 20 0 BFADRM CCCc1[n-]n(-c2cc(C)ccn2)c(=O)c1CC ZINC000634600734 342993541 /nfs/dbraw/zinc/99/35/41/342993541.db2.gz QULWGTSZQMMNGZ-NSHDSACASA-N -1 0 245.326 2.919 20 0 BFADRM C[C@H]1CCC[C@@H](n2[n-]c(C3CC3)cc2=O)C1 ZINC000634599284 342987688 /nfs/dbraw/zinc/98/76/88/342987688.db2.gz FBCPTOGUUNFFCF-GXSJLCMTSA-N -1 0 220.316 2.563 20 0 BFADRM CCc1[n-]n([C@@H]2CCC[C@H](C)C2)c(=O)c1C ZINC000634599907 342988252 /nfs/dbraw/zinc/98/82/52/342988252.db2.gz SCFQQRGVDRKOMT-HBNTYKKESA-N -1 0 222.332 2.809 20 0 BFADRM CC1CCC(n2[n-]c(C3CCC3)cc2=O)CC1 ZINC000634599526 342988550 /nfs/dbraw/zinc/98/85/50/342988550.db2.gz KQJDGNKVXSMKJZ-UHFFFAOYSA-N -1 0 234.343 2.954 20 0 BFADRM CC(C)c1cc(=O)n([C@@H]2CCC[C@H](C)C2)[n-]1 ZINC000634599564 342988602 /nfs/dbraw/zinc/98/86/02/342988602.db2.gz LDOOTVPNPPCWHT-WDEREUQCSA-N -1 0 222.332 2.809 20 0 BFADRM CC1CCC(n2[n-]c(-c3ccoc3)cc2=O)CC1 ZINC000634599492 342988714 /nfs/dbraw/zinc/98/87/14/342988714.db2.gz JSAXQTDIDIXLBY-UHFFFAOYSA-N -1 0 246.310 2.795 20 0 BFADRM C[C@H]1CCC[C@H](n2[n-]c(C(F)(F)F)cc2=O)C1 ZINC000634599675 342989185 /nfs/dbraw/zinc/98/91/85/342989185.db2.gz MYBUITLLQDPBMU-YUMQZZPRSA-N -1 0 248.248 2.716 20 0 BFADRM CC(C)c1cc(=O)n(C2CCC(C)CC2)[n-]1 ZINC000634599757 342989231 /nfs/dbraw/zinc/98/92/31/342989231.db2.gz PLSCJVCCOYHDDA-UHFFFAOYSA-N -1 0 222.332 2.809 20 0 BFADRM CC[C@@H](C)[C@@H](C)NC(=O)c1cc(C)ccc1O ZINC000042435361 342996704 /nfs/dbraw/zinc/99/67/04/342996704.db2.gz MPDMWHUNZWGOAZ-GHMZBOCLSA-N -1 0 235.327 2.865 20 0 BFADRM CCC(CC)n1[n-]c2c(c1=O)Cc1ccccc1-2 ZINC000634605131 342999241 /nfs/dbraw/zinc/99/92/41/342999241.db2.gz BHBMOSDSCIDCFJ-ZDUSSCGKSA-N -1 0 242.322 2.594 20 0 BFADRM CCC(CC)n1[n-]c(C2CCC2)cc1=O ZINC000634605359 342999429 /nfs/dbraw/zinc/99/94/29/342999429.db2.gz JKVBOADRDRHTKR-UHFFFAOYSA-N -1 0 208.305 2.563 20 0 BFADRM CCC(CC)n1[n-]c([C@@H](C)CC)cc1=O ZINC000634605557 342999661 /nfs/dbraw/zinc/99/96/61/342999661.db2.gz PTPPCLCJDVDFJV-VIFPVBQESA-N -1 0 210.321 2.809 20 0 BFADRM CCCc1[n-]n(-c2ncccc2F)c(=O)c1CC ZINC000634605670 343000185 /nfs/dbraw/zinc/00/01/85/343000185.db2.gz SUPCPSAXFAPHNK-SECBINFHSA-N -1 0 249.289 2.750 20 0 BFADRM CCCc1cc(=O)n(-c2ccncc2Cl)[n-]1 ZINC000634609130 343007992 /nfs/dbraw/zinc/00/79/92/343007992.db2.gz WXEBJGVDFGDVKE-UHFFFAOYSA-N -1 0 237.690 2.628 20 0 BFADRM Cc1ccc(F)c(-n2[n-]c(C3CC3)cc2=O)c1 ZINC000634611562 343008634 /nfs/dbraw/zinc/00/86/34/343008634.db2.gz XYGJJICHPZZADM-UHFFFAOYSA-N -1 0 232.258 2.637 20 0 BFADRM CC(C)c1cc(=O)n(CCc2ccccc2F)[n-]1 ZINC000634612378 343009020 /nfs/dbraw/zinc/00/90/20/343009020.db2.gz XGPHHZVOMWWLAB-UHFFFAOYSA-N -1 0 248.301 2.613 20 0 BFADRM CCCc1c(C)[n-]n(-c2cccc(C)n2)c1=O ZINC000634612740 343009824 /nfs/dbraw/zinc/00/98/24/343009824.db2.gz HIPWWSCATQLGPR-LLVKDONJSA-N -1 0 231.299 2.529 20 0 BFADRM CC(C)(C)CCn1[n-]c(C(F)(F)F)cc1=O ZINC000634620869 343019606 /nfs/dbraw/zinc/01/96/06/343019606.db2.gz RXXJMLUIEVQCFJ-UHFFFAOYSA-N -1 0 236.237 2.573 20 0 BFADRM CCC(CC)Cn1[n-]c(C(F)(F)F)cc1=O ZINC000634621805 343020459 /nfs/dbraw/zinc/02/04/59/343020459.db2.gz PXULWHJLVPXVRV-UHFFFAOYSA-N -1 0 236.237 2.573 20 0 BFADRM CCCc1cc(=O)n([C@H]2CCCC2(C)C)[n-]1 ZINC000634625456 343029164 /nfs/dbraw/zinc/02/91/64/343029164.db2.gz HAKXMYKFZSUZIX-NSHDSACASA-N -1 0 222.332 2.954 20 0 BFADRM CC1(c2cc(=O)n([C@H]3CCCC3(C)C)[n-]2)CC1 ZINC000634625417 343029374 /nfs/dbraw/zinc/02/93/74/343029374.db2.gz GKXQJPLKMRYQSN-NSHDSACASA-N -1 0 234.343 2.954 20 0 BFADRM C[C@@H](c1ccncc1)n1[n-]c(C2CCC2)cc1=O ZINC000634626751 343030802 /nfs/dbraw/zinc/03/08/02/343030802.db2.gz LJDXEUPLKAFKEQ-JTQLQIEISA-N -1 0 243.310 2.531 20 0 BFADRM Cc1ccc(-c2cc(=O)n([C@@H](C)C(C)(C)C)[n-]2)o1 ZINC000634629935 343038410 /nfs/dbraw/zinc/03/84/10/343038410.db2.gz HSYNAWAUWFJBJE-JTQLQIEISA-N -1 0 248.326 2.959 20 0 BFADRM O=c1c2c([n-]n1-c1ccncc1F)CCCCC2 ZINC000634634269 343047052 /nfs/dbraw/zinc/04/70/52/343047052.db2.gz TUSRBCRLJSUGLE-SECBINFHSA-N -1 0 247.273 2.504 20 0 BFADRM CCc1cc(=O)n(C2CCC(C)(C)CC2)[n-]1 ZINC000634635725 343049483 /nfs/dbraw/zinc/04/94/83/343049483.db2.gz LRRQYPDERFCYCZ-UHFFFAOYSA-N -1 0 222.332 2.954 20 0 BFADRM CCc1cc(=O)n([C@@H]2CCc3c2cccc3F)[n-]1 ZINC000634632417 343043589 /nfs/dbraw/zinc/04/35/89/343043589.db2.gz QOLMSOIPLFSGKR-CYBMUJFWSA-N -1 0 246.285 2.811 20 0 BFADRM Cc1sc(NC[C@H]2CC2(C)C)nc1C(=O)[O-] ZINC000235970402 343067645 /nfs/dbraw/zinc/06/76/45/343067645.db2.gz CSAVAQXGZLMCFN-SSDOTTSWSA-N -1 0 240.328 2.608 20 0 BFADRM O=C([O-])c1cc(-c2ccccn2)ccc1F ZINC000082505826 362039595 /nfs/dbraw/zinc/03/95/95/362039595.db2.gz DNDRGKNQBGTOIM-UHFFFAOYSA-N -1 0 217.199 2.586 20 0 BFADRM CCc1nc(=NCc2cc(C)cs2)s[n-]1 ZINC000344638130 365717564 /nfs/dbraw/zinc/71/75/64/365717564.db2.gz XZYZLNRILAUUET-UHFFFAOYSA-N -1 0 239.369 2.504 20 0 BFADRM Cc1oc(C[N@@H+]2CCC(C)(C)C2)cc1C(=O)[O-] ZINC000094805571 343153526 /nfs/dbraw/zinc/15/35/26/343153526.db2.gz NEMSUMUTYNXWSW-UHFFFAOYSA-N -1 0 237.299 2.518 20 0 BFADRM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)C(=O)[O-] ZINC000077427355 187242009 /nfs/dbraw/zinc/24/20/09/187242009.db2.gz WTWGJESIGNYXJN-SNVBAGLBSA-N -1 0 249.310 2.778 20 0 BFADRM CCC1(C)CCN(c2cc[nH+]cc2C(=O)[O-])CC1 ZINC000126171631 343169109 /nfs/dbraw/zinc/16/91/09/343169109.db2.gz YHQPIAOWUZSNDR-UHFFFAOYSA-N -1 0 248.326 2.796 20 0 BFADRM O=C([O-])c1cccc(-c2cccc3c2OCC3)c1 ZINC000133902102 343186468 /nfs/dbraw/zinc/18/64/68/343186468.db2.gz YSODZAIAVPKMLJ-UHFFFAOYSA-N -1 0 240.258 2.987 20 0 BFADRM CCCC[C@H](C(=O)[O-])N1CCc2ccccc21 ZINC000132531626 343188452 /nfs/dbraw/zinc/18/84/52/343188452.db2.gz RPSNMJJKSWGPPV-CYBMUJFWSA-N -1 0 233.311 2.693 20 0 BFADRM CCOC[C@H](C)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000135078444 343192457 /nfs/dbraw/zinc/19/24/57/343192457.db2.gz WAXQCTCRQRGUMJ-JTQLQIEISA-N -1 0 237.299 2.530 20 0 BFADRM Cc1ccc2oc(SCCC(=O)[O-])nc2c1 ZINC000026439899 343250477 /nfs/dbraw/zinc/25/04/77/343250477.db2.gz FENROBVBULHRKN-UHFFFAOYSA-N -1 0 237.280 2.703 20 0 BFADRM CC(C)c1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000035123048 343285201 /nfs/dbraw/zinc/28/52/01/343285201.db2.gz INXIDQCDJXWBCY-UHFFFAOYSA-N -1 0 235.283 2.613 20 0 BFADRM Cc1oc(C(=O)[O-])cc1CN(C)Cc1ccco1 ZINC000051361398 343256253 /nfs/dbraw/zinc/25/62/53/343256253.db2.gz HYGFTVVEJPUPGF-UHFFFAOYSA-N -1 0 249.266 2.511 20 0 BFADRM CCN(CC(C)C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000035347747 343294542 /nfs/dbraw/zinc/29/45/42/343294542.db2.gz LNAFVLIPYBACBV-UHFFFAOYSA-N -1 0 249.310 2.503 20 0 BFADRM O=C([O-])c1cccnc1NC1CCCCCC1 ZINC000037388153 343344371 /nfs/dbraw/zinc/34/43/71/343344371.db2.gz ZSRKBVOUYWZINP-UHFFFAOYSA-N -1 0 234.299 2.915 20 0 BFADRM Cc1nc(-c2ccccc2O)sc1C(=O)[O-] ZINC000083362111 343586528 /nfs/dbraw/zinc/58/65/28/343586528.db2.gz NDFDVUFEQDHNQO-UHFFFAOYSA-N -1 0 235.264 2.522 20 0 BFADRM CC(C)N(C(=O)c1cccc(C(=O)[O-])c1)C(C)C ZINC000216106357 344139698 /nfs/dbraw/zinc/13/96/98/344139698.db2.gz YBDXLDKNEMKNPQ-UHFFFAOYSA-N -1 0 249.310 2.644 20 0 BFADRM CC(C)(C)CCNC(=O)c1ccc(F)cc1[O-] ZINC000228307899 259375752 /nfs/dbraw/zinc/37/57/52/259375752.db2.gz ZAIWWTKAOCXYPC-UHFFFAOYSA-N -1 0 239.290 2.697 20 0 BFADRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1ccccc1 ZINC000634814808 344400726 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CC[C@H](NC(=O)CCCCCC(C)C)C(=O)[O-] ZINC000767101412 585514319 /nfs/dbraw/zinc/51/43/19/585514319.db2.gz WRGMRTFFVVQWBE-NSHDSACASA-N -1 0 243.347 2.572 20 0 BFADRM O=C([N-]OC1CCCC1)[C@@H](F)c1ccccc1 ZINC000769009003 585547416 /nfs/dbraw/zinc/54/74/16/585547416.db2.gz NOSUEKBHRKNSJT-LBPRGKRZSA-N -1 0 237.274 2.688 20 0 BFADRM CC(C)CCNC(=O)c1cccc(Cl)c1[O-] ZINC000775638742 585682073 /nfs/dbraw/zinc/68/20/73/585682073.db2.gz GZVSCKCXDUPIHL-UHFFFAOYSA-N -1 0 241.718 2.822 20 0 BFADRM CCN(C(=O)c1cccc(Cl)c1[O-])C1CC1 ZINC000775654194 585682347 /nfs/dbraw/zinc/68/23/47/585682347.db2.gz UTQKDCPPQIITAN-UHFFFAOYSA-N -1 0 239.702 2.670 20 0 BFADRM CCCCO[C@@H](C)C(=O)[N-]OC1CCCCC1 ZINC000779321620 585751011 /nfs/dbraw/zinc/75/10/11/585751011.db2.gz DGKOQMFKSJYQDI-NSHDSACASA-N -1 0 243.347 2.572 20 0 BFADRM CC(C)[C@H](F)C(=O)Nc1cccc(Cl)c1[O-] ZINC000784456567 585860659 /nfs/dbraw/zinc/86/06/59/585860659.db2.gz UKLXCABSMKXJNG-VIFPVBQESA-N -1 0 245.681 2.978 20 0 BFADRM C[C@@H]1C[C@H]1COC(=O)c1ccc([O-])c(Cl)c1 ZINC000859450689 589038159 /nfs/dbraw/zinc/03/81/59/589038159.db2.gz UHMCKXGXJMGMLI-APPZFPTMSA-N -1 0 240.686 2.858 20 0 BFADRM CC(C)CON=c1nc(C(F)(F)F)[n-]s1 ZINC000804586205 586399316 /nfs/dbraw/zinc/39/93/16/586399316.db2.gz TXRMOGNJPLQNPA-UHFFFAOYSA-N -1 0 241.238 2.556 20 0 BFADRM CC(C)=CCOC(=O)c1cc(F)c([O-])c(F)c1 ZINC000808523296 586477359 /nfs/dbraw/zinc/47/73/59/586477359.db2.gz OWQGHSIUFDBYNM-UHFFFAOYSA-N -1 0 242.221 2.793 20 0 BFADRM Cc1cccc(C2(C(=O)[N-]OC3CCC3)CC2)c1 ZINC000812788666 586584517 /nfs/dbraw/zinc/58/45/17/586584517.db2.gz UWGXYZLPVXHZMF-UHFFFAOYSA-N -1 0 245.322 2.627 20 0 BFADRM CC[C@H](C(=O)[N-]OC1CCC1)c1ccccc1 ZINC000812791693 586585086 /nfs/dbraw/zinc/58/50/86/586585086.db2.gz SYUVMFVDQUERSO-ZDUSSCGKSA-N -1 0 233.311 2.781 20 0 BFADRM CC[C@@H](C(=O)[N-]OC1CCC1)c1ccccc1 ZINC000812791692 586585145 /nfs/dbraw/zinc/58/51/45/586585145.db2.gz SYUVMFVDQUERSO-CYBMUJFWSA-N -1 0 233.311 2.781 20 0 BFADRM 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ZINC000818261245 586882700 /nfs/dbraw/zinc/88/27/00/586882700.db2.gz ARGBHPHKBJMIFL-VIFPVBQESA-N -1 0 239.340 2.825 20 0 BFADRM COc1ccccc1[C@@H](C)SCCC(=O)[O-] ZINC000818631208 586907750 /nfs/dbraw/zinc/90/77/50/586907750.db2.gz LFQQMYNEPMBMDC-SECBINFHSA-N -1 0 240.324 2.964 20 0 BFADRM Cc1cc(N[C@H](C)C(=O)[O-])ccc1OC(C)C ZINC000818849361 586914544 /nfs/dbraw/zinc/91/45/44/586914544.db2.gz ZSOMXJIAGBAQFL-SNVBAGLBSA-N -1 0 237.299 2.667 20 0 BFADRM O=C([O-])CCCCCNc1ccnc(Cl)c1 ZINC000819413737 586962389 /nfs/dbraw/zinc/96/23/89/586962389.db2.gz JMRZMCCPQFCHSS-UHFFFAOYSA-N -1 0 242.706 2.792 20 0 BFADRM CCC[C@H](C(=O)NC1=NC[C@@H](C)S1)C(C)C ZINC000819776451 586992358 /nfs/dbraw/zinc/99/23/58/586992358.db2.gz MBJKKQSQFWNURI-ZJUUUORDSA-N -1 0 242.388 2.666 20 0 BFADRM C[C@@H]1c2ccccc2C[N@H+]1CCCCC(=O)[O-] ZINC000820257000 587038668 /nfs/dbraw/zinc/03/86/68/587038668.db2.gz QRTIGXVYELVSGR-LLVKDONJSA-N -1 0 233.311 2.818 20 0 BFADRM CCc1cc(NCc2cccc(C(=O)[O-])c2)no1 ZINC000820474348 587050530 /nfs/dbraw/zinc/05/05/30/587050530.db2.gz REDNIZTVLJCAJK-UHFFFAOYSA-N -1 0 246.266 2.547 20 0 BFADRM CO[C@H](C)c1cccc(N[C@@H](C)CC(=O)[O-])c1 ZINC000820697126 587067322 /nfs/dbraw/zinc/06/73/22/587067322.db2.gz RZUXZYIANSVETH-VHSXEESVSA-N -1 0 237.299 2.669 20 0 BFADRM CCC[C@H](C)Sc1cc(-c2nn[nH]n2)ccn1 ZINC000821016531 587088284 /nfs/dbraw/zinc/08/82/84/587088284.db2.gz XDISDFOPRCQKDF-QMMMGPOBSA-N -1 0 249.343 2.542 20 0 BFADRM C/C(=C/c1ccc(C(=O)[O-])cc1)c1ncccn1 ZINC000821017671 587088513 /nfs/dbraw/zinc/08/85/13/587088513.db2.gz LIVRCOQOWPCNKO-KTKRTIGZSA-N -1 0 240.262 2.735 20 0 BFADRM O=C([O-])c1cccc(CNc2cccc(F)n2)c1 ZINC000821552450 587128028 /nfs/dbraw/zinc/12/80/28/587128028.db2.gz NCUZNLQMSOYQAB-UHFFFAOYSA-N -1 0 246.241 2.531 20 0 BFADRM CC(C)=C(C)CC(=O)[N-]Oc1ccccc1 ZINC000822689273 587181289 /nfs/dbraw/zinc/18/12/89/587181289.db2.gz ASHNZXXAEOFDKN-UHFFFAOYSA-N -1 0 219.284 2.843 20 0 BFADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)[O-] ZINC000824128338 587257113 /nfs/dbraw/zinc/25/71/13/587257113.db2.gz DSYHWJUJKIYHOU-LLVKDONJSA-N -1 0 225.263 2.660 20 0 BFADRM CC(C)CNc1ccc2c(c1)CCN2C(=O)[O-] ZINC000824268235 587264072 /nfs/dbraw/zinc/26/40/72/587264072.db2.gz LPOIUPBLVOOUAG-UHFFFAOYSA-N -1 0 234.299 2.795 20 0 BFADRM CC(C)COc1ccc(NC(=O)[O-])cc1 ZINC000824275263 587264750 /nfs/dbraw/zinc/26/47/50/587264750.db2.gz HDOYDKRZQVUZHU-UHFFFAOYSA-N -1 0 209.245 2.811 20 0 BFADRM C[C@H](NC(=O)[O-])c1cccc(N2CCCC2)c1 ZINC000825454290 587320022 /nfs/dbraw/zinc/32/00/22/587320022.db2.gz QDYKPPSKCCJYFX-JTQLQIEISA-N -1 0 234.299 2.615 20 0 BFADRM CC1(C)C[C@@H](NC(=O)[O-])c2ccccc2O1 ZINC000825706820 587333090 /nfs/dbraw/zinc/33/30/90/587333090.db2.gz KEOHDNBATHQLFF-SECBINFHSA-N -1 0 221.256 2.556 20 0 BFADRM C/C(=C\CN(C)c1cccc(C)c1C)C(=O)[O-] ZINC000825729953 587334107 /nfs/dbraw/zinc/33/41/07/587334107.db2.gz OHHYXPQZZAQGSG-DHZHZOJOSA-N -1 0 233.311 2.771 20 0 BFADRM C/C(=C/CN1CCCc2ccc(C)cc21)C(=O)[O-] ZINC000825742288 587335511 /nfs/dbraw/zinc/33/55/11/587335511.db2.gz XWXOSVUUSHAOSZ-GHXNOFRVSA-N -1 0 245.322 2.779 20 0 BFADRM C/C(=C/CN1CCSc2ccccc21)C(=O)[O-] ZINC000825746675 587336245 /nfs/dbraw/zinc/33/62/45/587336245.db2.gz JSKYOZBNOLRJKT-POHAHGRESA-N -1 0 249.335 2.630 20 0 BFADRM C/C(=C\COC(=O)/C=C(\C)C(C)(C)C)C(=O)[O-] ZINC000825759022 587337677 /nfs/dbraw/zinc/33/76/77/587337677.db2.gz VBZQERULKWXNBP-OAMUUVBCSA-N -1 0 240.299 2.553 20 0 BFADRM C/C(=C\C(=O)OC/C=C(/C)C(=O)[O-])C(C)(C)C ZINC000825759021 587337848 /nfs/dbraw/zinc/33/78/48/587337848.db2.gz VBZQERULKWXNBP-NULKZJHKSA-N -1 0 240.299 2.553 20 0 BFADRM C/C(=C/COC(=O)CCC1CCCC1)C(=O)[O-] ZINC000825758801 587337933 /nfs/dbraw/zinc/33/79/33/587337933.db2.gz QGAYDVJTGPRHEG-NTMALXAHSA-N -1 0 240.299 2.531 20 0 BFADRM C/C(=C/CSc1nc(C)c(C)s1)C(=O)[O-] ZINC000825792500 587339175 /nfs/dbraw/zinc/33/91/75/587339175.db2.gz FWGHJUYJAOVBOB-XQRVVYSFSA-N -1 0 243.353 2.883 20 0 BFADRM CC(=O)[C@@H](C)SCc1ccsc1C(=O)[O-] ZINC000825813712 587340268 /nfs/dbraw/zinc/34/02/68/587340268.db2.gz PQMLWZKKPIXLST-SSDOTTSWSA-N -1 0 244.337 2.657 20 0 BFADRM CC(=O)[C@@H](C)SCc1ccc(C(=O)[O-])s1 ZINC000825814107 587340373 /nfs/dbraw/zinc/34/03/73/587340373.db2.gz YKFCCBNDWPTJGB-SSDOTTSWSA-N -1 0 244.337 2.657 20 0 BFADRM CC(C(=O)O[C@H](C(=O)[O-])C(C)C)=C1CCCC1 ZINC000826061361 587350011 /nfs/dbraw/zinc/35/00/11/587350011.db2.gz MVGMTIMPNNAXMR-NSHDSACASA-N -1 0 240.299 2.529 20 0 BFADRM CC(C)=C(C)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000826641929 587357371 /nfs/dbraw/zinc/35/73/71/587357371.db2.gz JZPJWEOJPPYKPC-UHFFFAOYSA-N -1 0 247.294 2.988 20 0 BFADRM C[C@H](CC(=O)[O-])C(=O)OCCC1CCCCC1 ZINC000827341603 587377681 /nfs/dbraw/zinc/37/76/81/587377681.db2.gz IYEPEXBMFSYBBR-SNVBAGLBSA-N -1 0 242.315 2.611 20 0 BFADRM CC1(C)CC([NH2+]Cc2c(F)ccc(O)c2F)C1 ZINC000827780605 587401803 /nfs/dbraw/zinc/40/18/03/587401803.db2.gz ZBLPIRFVKRDGDP-UHFFFAOYSA-N -1 0 241.281 2.949 20 0 BFADRM CN(C(=O)[O-])c1ccc(OC(=O)CC2CC2)cc1 ZINC000827907766 587409386 /nfs/dbraw/zinc/40/93/86/587409386.db2.gz DCZBPVHNYXNIPM-UHFFFAOYSA-N -1 0 249.266 2.506 20 0 BFADRM CCCC[C@@H](C)C(=O)N[C@](C)(CC)CC(=O)[O-] ZINC000828095148 587419140 /nfs/dbraw/zinc/41/91/40/587419140.db2.gz LGNMBEXJZOTOMK-ZWNOBZJWSA-N -1 0 243.347 2.572 20 0 BFADRM CC1CC(C(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000828156496 587422329 /nfs/dbraw/zinc/42/23/29/587422329.db2.gz LWDDVZAXWFFJGF-UHFFFAOYSA-N -1 0 248.282 2.761 20 0 BFADRM CN(Cc1nc(C2CCC2)cs1)C(=O)[O-] ZINC000828417188 587441133 /nfs/dbraw/zinc/44/11/33/587441133.db2.gz XQSYGCHGOVJIRT-UHFFFAOYSA-N -1 0 226.301 2.520 20 0 BFADRM C/C=C(\C)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000828534904 587448820 /nfs/dbraw/zinc/44/88/20/587448820.db2.gz SLRZTZOJCDYSBD-RUDMXATFSA-N -1 0 233.267 2.598 20 0 BFADRM C/C=C(\C)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000828535030 587448822 /nfs/dbraw/zinc/44/88/22/587448822.db2.gz VGHWZANCKNENTI-FPYGCLRLSA-N -1 0 234.255 2.681 20 0 BFADRM CCC(C)(C)CC(=O)N[C@@](C)(CC)CC(=O)[O-] ZINC000828609391 587453318 /nfs/dbraw/zinc/45/33/18/587453318.db2.gz RXCKFMQHTICAEX-ZDUSSCGKSA-N -1 0 243.347 2.572 20 0 BFADRM CC[C@H](C)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000828700903 587457965 /nfs/dbraw/zinc/45/79/65/587457965.db2.gz UIBNBEMDXBLQIQ-ZETCQYMHSA-N -1 0 242.296 2.536 20 0 BFADRM CCC1(C(=O)Oc2ccc(C(=O)[O-])cc2)CCC1 ZINC000829044351 587480554 /nfs/dbraw/zinc/48/05/54/587480554.db2.gz PJZWNRQNTFPBFG-UHFFFAOYSA-N -1 0 248.278 2.871 20 0 BFADRM CC[C@@H]1CCC[C@@H](OC(=O)[C@H](C)CC(=O)[O-])C1 ZINC000829112910 587483305 /nfs/dbraw/zinc/48/33/05/587483305.db2.gz PNOMTKKSNYWEIW-GMTAPVOTSA-N -1 0 242.315 2.609 20 0 BFADRM CCCCCCC(=O)N[C@@](C)(CC)CC(=O)[O-] ZINC000829356760 587493707 /nfs/dbraw/zinc/49/37/07/587493707.db2.gz JLRDPCVSHVMKEM-ZDUSSCGKSA-N -1 0 243.347 2.716 20 0 BFADRM CCCCCCC(=O)OC/C=C(/C)C(=O)[O-] ZINC000829357710 587494055 /nfs/dbraw/zinc/49/40/55/587494055.db2.gz UVOOHYULMAWDJN-NTMALXAHSA-N -1 0 228.288 2.531 20 0 BFADRM CCCCCN(C(=O)[C@@H](C)CC(=O)[O-])C(C)C ZINC000829363682 587494159 /nfs/dbraw/zinc/49/41/59/587494159.db2.gz KTXVJSJDQHCAOW-NSHDSACASA-N -1 0 243.347 2.524 20 0 BFADRM CCCCCN(C(=O)[C@H](C)CC(=O)[O-])C(C)C ZINC000829363681 587494523 /nfs/dbraw/zinc/49/45/23/587494523.db2.gz KTXVJSJDQHCAOW-LLVKDONJSA-N -1 0 243.347 2.524 20 0 BFADRM CCCCO[C@H]1C[C@@H](N(C)C(=O)[O-])C1(C)C ZINC000829413794 587496704 /nfs/dbraw/zinc/49/67/04/587496704.db2.gz XULHYSJUMCULFF-ZJUUUORDSA-N -1 0 229.320 2.580 20 0 BFADRM Cc1ccc(C(=O)OC2CCC2)cc1NC(=O)[O-] ZINC000830238363 587543078 /nfs/dbraw/zinc/54/30/78/587543078.db2.gz QFUWLONPHMCIOG-UHFFFAOYSA-N -1 0 249.266 2.794 20 0 BFADRM Cc1csc(-c2cccc(CNC(=O)[O-])c2)n1 ZINC000830655047 587562923 /nfs/dbraw/zinc/56/29/23/587562923.db2.gz GTSQELNYTOKIHT-UHFFFAOYSA-N -1 0 248.307 2.886 20 0 BFADRM CCCONC(=O)Nc1cc(C)cnc1Cl ZINC000831711430 587628578 /nfs/dbraw/zinc/62/85/78/587628578.db2.gz PDGRPWIVVNSRTF-UHFFFAOYSA-N -1 0 243.694 2.507 20 0 BFADRM COCCS[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000831788249 587631861 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BFADRM O=C(OCCCF)c1cc([S-])ccc1F ZINC000798723771 586149141 /nfs/dbraw/zinc/14/91/41/586149141.db2.gz CMRXDMXJVBLVLW-UHFFFAOYSA-N -1 0 232.251 2.631 20 0 BFADRM O=C([N-]OC1CCC1)[C@H](F)CC1CCCCC1 ZINC000812791969 586585209 /nfs/dbraw/zinc/58/52/09/586585209.db2.gz FXRNEPMGMJNQAN-GFCCVEGCSA-N -1 0 243.322 2.895 20 0 BFADRM O=C([N-]OC1CCCC1)C1(C(F)F)CCCC1 ZINC000813507422 586602785 /nfs/dbraw/zinc/60/27/85/586602785.db2.gz JYDVNEDZFVXYKX-UHFFFAOYSA-N -1 0 247.285 2.802 20 0 BFADRM CC[C@@H](C)CON=c1nc([C@H](C)OC)[n-]s1 ZINC000813621771 586604764 /nfs/dbraw/zinc/60/47/64/586604764.db2.gz FRWOJNRUAMQRLL-SFYZADRCSA-N -1 0 245.348 2.635 20 0 BFADRM CC[C@@H](C)CO[N-]C(=O)CSCCC(C)C ZINC000816977040 586776886 /nfs/dbraw/zinc/77/68/86/586776886.db2.gz PIFDEOUVHYUERT-LLVKDONJSA-N -1 0 247.404 2.860 20 0 BFADRM CCS[C@H](C(=O)[N-]OCCC1CC1)C(C)C ZINC000817388021 586800123 /nfs/dbraw/zinc/80/01/23/586800123.db2.gz NVINMWUPQRAADM-NSHDSACASA-N -1 0 245.388 2.612 20 0 BFADRM 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ZINC000828527768 587448128 /nfs/dbraw/zinc/44/81/28/587448128.db2.gz OQAPONSIZWSOFB-ZCFIWIBFSA-N -1 0 227.210 2.562 20 0 BFADRM C/C=C(/C)C(=O)Oc1cc(C(=O)[O-])ccc1C ZINC000828534869 587448777 /nfs/dbraw/zinc/44/87/77/587448777.db2.gz RFDPYSFOAFAXLH-YWEYNIOJSA-N -1 0 234.251 2.565 20 0 BFADRM C/C=C(/C)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000828534274 587448949 /nfs/dbraw/zinc/44/89/49/587448949.db2.gz GOPHHXRTBXCPHX-BAQGIRSFSA-N -1 0 244.250 2.858 20 0 BFADRM CC[C@H](C)CNc1ccc(CNC(=O)[O-])cc1 ZINC000828747795 587460179 /nfs/dbraw/zinc/46/01/79/587460179.db2.gz WWLATIAGPHQNMC-JTQLQIEISA-N -1 0 236.315 2.912 20 0 BFADRM CCC(CC)SC/C=C(\C)C(=O)[O-] ZINC000828863314 587467276 /nfs/dbraw/zinc/46/72/76/587467276.db2.gz ZNZJBONHNIPXIQ-SOFGYWHQSA-N -1 0 202.319 2.939 20 0 BFADRM C[C@@]1(C(=O)[N-]Oc2ccccc2F)C=CCC1 ZINC000828984880 587477816 /nfs/dbraw/zinc/47/78/16/587477816.db2.gz JEDOMVRHYHHYGI-CYBMUJFWSA-N -1 0 235.258 2.592 20 0 BFADRM CCC1(C(=O)OCc2ccc(C(=O)[O-])cc2)CC1 ZINC000829043632 587480887 /nfs/dbraw/zinc/48/08/87/587480887.db2.gz CUIWYMRNJBGXFB-UHFFFAOYSA-N -1 0 248.278 2.618 20 0 BFADRM CCCCC[C@@H](C)CC(=O)O[C@@H](C)C(=O)[O-] ZINC000829304501 587491725 /nfs/dbraw/zinc/49/17/25/587491725.db2.gz HHEDZPSQYZESHB-ZJUUUORDSA-N -1 0 230.304 2.609 20 0 BFADRM CCCC[C@H](Sc1nc(CC)c[nH]1)C(=O)[O-] ZINC000829295348 587492012 /nfs/dbraw/zinc/49/20/12/587492012.db2.gz CKKAVZAWMOSFKS-VIFPVBQESA-N -1 0 242.344 2.708 20 0 BFADRM CCCCN(C(=O)[C@@H](C)CC(=O)[O-])[C@H](C)CC ZINC000829373327 587494680 /nfs/dbraw/zinc/49/46/80/587494680.db2.gz RGPCLCBUHDBKJU-WDEREUQCSA-N -1 0 243.347 2.524 20 0 BFADRM CCc1cccc2c1N(C/C=C(\C)C(=O)[O-])CC2 ZINC000830270413 587544900 /nfs/dbraw/zinc/54/49/00/587544900.db2.gz RYYWMSHECUBACP-YRNVUSSQSA-N -1 0 245.322 2.642 20 0 BFADRM Cc1ccc(NC(=O)[O-])c(OCc2ccno2)c1 ZINC000830390370 587548785 /nfs/dbraw/zinc/54/87/85/587548785.db2.gz ODELFZSOPKGLLO-UHFFFAOYSA-N -1 0 248.238 2.652 20 0 BFADRM CCCC[C@@](C)(F)C(=O)[N-]OCC(F)(F)F ZINC000830442998 587551151 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/nfs/dbraw/zinc/70/51/76/587705176.db2.gz PXWYXWDJHGGIER-GORDUTHDSA-N -1 0 229.638 2.688 20 0 BFADRM O=C([O-])c1ccc(NC/C=C\Cl)cc1F ZINC000833320503 587705774 /nfs/dbraw/zinc/70/57/74/587705774.db2.gz PXEXEQODHHQPIN-RJRFIUFISA-N -1 0 229.638 2.688 20 0 BFADRM O=C([O-])c1cccc(NC/C=C/Cl)c1 ZINC000833331970 587706205 /nfs/dbraw/zinc/70/62/05/587706205.db2.gz WDAVTIUNHPGRNX-GORDUTHDSA-N -1 0 211.648 2.549 20 0 BFADRM CC(C)(C)C[C@H](OC(=O)CC1CCC1)C(=O)[O-] ZINC000833425541 587714508 /nfs/dbraw/zinc/71/45/08/587714508.db2.gz CRGBCKHYACFFBJ-JTQLQIEISA-N -1 0 242.315 2.609 20 0 BFADRM CC(C)=C(C)C(=O)OCc1ccccc1C(=O)[O-] ZINC000833462787 587715740 /nfs/dbraw/zinc/71/57/40/587715740.db2.gz KCEZSYJQGVLRBH-UHFFFAOYSA-N -1 0 248.278 2.784 20 0 BFADRM C[C@H](OC(=O)CC1CCC(C)(C)CC1)C(=O)[O-] ZINC000833529651 587718799 /nfs/dbraw/zinc/71/87/99/587718799.db2.gz OVLJCXMCORGIQL-VIFPVBQESA-N -1 0 242.315 2.609 20 0 BFADRM C[C@@H](OC(=O)C[C@@H]1CCCCC1(C)C)C(=O)[O-] ZINC000833531748 587719399 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ZINC000833610861 587724449 /nfs/dbraw/zinc/72/44/49/587724449.db2.gz MPQHQWRXHCLVKO-VGMNWLOBSA-N -1 0 202.319 2.771 20 0 BFADRM CCC[C@H](C(=O)OC/C=C(/C)C(=O)[O-])C(C)C ZINC000833647365 587726394 /nfs/dbraw/zinc/72/63/94/587726394.db2.gz DGJSGDBEMUNYBC-BRNRAETOSA-N -1 0 242.315 2.633 20 0 BFADRM Cn1ccc(CNc2ccc(NC(=O)[O-])cc2)c1 ZINC000833953428 587739309 /nfs/dbraw/zinc/73/93/09/587739309.db2.gz WKYXMBFKBCZOSR-UHFFFAOYSA-N -1 0 245.282 2.727 20 0 BFADRM O=C([O-])N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000834137531 587746874 /nfs/dbraw/zinc/74/68/74/587746874.db2.gz MXBDOMVBHBFTAH-VIFPVBQESA-N -1 0 247.216 2.818 20 0 BFADRM O=C([O-])N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000834186760 587748316 /nfs/dbraw/zinc/74/83/16/587748316.db2.gz SNTHSNWXMQUKDP-SECBINFHSA-N -1 0 241.674 2.821 20 0 BFADRM Cc1cc2cc(NC(=O)NOC(C)C)ccc2[nH]1 ZINC000836376942 587831946 /nfs/dbraw/zinc/83/19/46/587831946.db2.gz MICHFMAEZDXKIY-UHFFFAOYSA-N -1 0 247.298 2.938 20 0 BFADRM C/C=C(\C)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000840944050 587931147 /nfs/dbraw/zinc/93/11/47/587931147.db2.gz YBVRDSVTMJNSLR-LLGDCAAFSA-N -1 0 247.294 2.779 20 0 BFADRM CC(C)=CC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000840943486 587931225 /nfs/dbraw/zinc/93/12/25/587931225.db2.gz ATNKVPRAAXIJCK-JTQLQIEISA-N -1 0 247.294 2.779 20 0 BFADRM O=C([O-])CCCn1nc(Cl)c2ccccc21 ZINC000843303371 588098668 /nfs/dbraw/zinc/09/86/68/588098668.db2.gz NTOROJUUKHOTPL-UHFFFAOYSA-N -1 0 238.674 2.555 20 0 BFADRM CCCO[N-]C(=O)C1(c2cccc(C)c2)CCC1 ZINC000844083940 588162872 /nfs/dbraw/zinc/16/28/72/588162872.db2.gz VLXMJHRIMIHIEU-UHFFFAOYSA-N -1 0 247.338 2.875 20 0 BFADRM CCCO[N-]C(=O)[C@H](SC)c1ccccc1 ZINC000844086753 588164842 /nfs/dbraw/zinc/16/48/42/588164842.db2.gz OYLACSYUCWLOOB-LLVKDONJSA-N -1 0 239.340 2.549 20 0 BFADRM CCNC(=S)[N-]c1cccc(F)c1SC ZINC000849271807 588468522 /nfs/dbraw/zinc/46/85/22/588468522.db2.gz UVEVBOSIBAUVJB-UHFFFAOYSA-N -1 0 244.360 2.854 20 0 BFADRM O=C([O-])Nc1ccccc1Br ZINC000118021844 589147735 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CC(C)=CC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000788089234 585040978 /nfs/dbraw/zinc/04/09/78/585040978.db2.gz JLIABVONIIRBPA-UHFFFAOYSA-N -1 0 247.294 2.906 20 0 BFADRM Cc1cncc(NC(=O)c2cc3occc3[nH]2)c1 ZINC000750892835 585221200 /nfs/dbraw/zinc/22/12/00/585221200.db2.gz JDSSEAHRFQFIBS-UHFFFAOYSA-N -1 0 241.250 2.717 20 0 BFADRM CCCCCCO[C@H](C)C(=O)[N-]OCC(C)C ZINC000839711628 585338169 /nfs/dbraw/zinc/33/81/69/585338169.db2.gz YIDSJPOIVRSCDK-GFCCVEGCSA-N -1 0 245.363 2.676 20 0 BFADRM CC[C@@H](C)COC(=O)c1cc(F)c([O-])c(F)c1 ZINC000759537188 585374991 /nfs/dbraw/zinc/37/49/91/585374991.db2.gz HGBJCBXYRFRTNE-SSDOTTSWSA-N -1 0 244.237 2.873 20 0 BFADRM C/C=C/C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805256446 585436503 /nfs/dbraw/zinc/43/65/03/585436503.db2.gz HPVZUZFGMPVAEK-NSCUHMNNSA-N -1 0 229.638 2.699 20 0 BFADRM CCCCC[C@@H](NC(=O)C(=O)[O-])c1ccccc1 ZINC000765025802 585479767 /nfs/dbraw/zinc/47/97/67/585479767.db2.gz IGOUCLSCLNLDJL-GFCCVEGCSA-N -1 0 249.310 2.509 20 0 BFADRM 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586796869 /nfs/dbraw/zinc/79/68/69/586796869.db2.gz ZGFXGQQYEXFCCL-UHFFFAOYSA-N -1 0 247.338 2.730 20 0 BFADRM C[C@@H](Nc1ccc(CC(F)(F)F)cc1)C(=O)[O-] ZINC000818059670 586867917 /nfs/dbraw/zinc/86/79/17/586867917.db2.gz QGCFHUAHLRRCIB-SSDOTTSWSA-N -1 0 247.216 2.676 20 0 BFADRM C[C@H](SCCc1ccc(F)c(F)c1)C(=O)[O-] ZINC000818066003 586868282 /nfs/dbraw/zinc/86/82/82/586868282.db2.gz WCUAXKZUVDJEGB-ZETCQYMHSA-N -1 0 246.278 2.714 20 0 BFADRM COc1cccc([C@H](C)S[C@@H](C)C(=O)[O-])c1 ZINC000818620866 586907850 /nfs/dbraw/zinc/90/78/50/586907850.db2.gz SUELSYGVRDSQTQ-IUCAKERBSA-N -1 0 240.324 2.963 20 0 BFADRM COc1ccccc1[C@H](C)S[C@H](C)C(=O)[O-] ZINC000818631182 586908057 /nfs/dbraw/zinc/90/80/57/586908057.db2.gz IMVAPLLFVDURIB-DTWKUNHWSA-N -1 0 240.324 2.963 20 0 BFADRM Cc1ccoc1CNc1cccc(CC(=O)[O-])c1 ZINC000818967362 586917987 /nfs/dbraw/zinc/91/79/87/586917987.db2.gz FSAUGAXJUBPPBS-UHFFFAOYSA-N -1 0 245.278 2.827 20 0 BFADRM O=C([O-])CSCc1cccc(OC(F)F)c1 ZINC000819543621 586975945 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Cc1ccc([C@@H]2CCCCN2C(=O)[O-])o1 ZINC000738582632 603121101 /nfs/dbraw/zinc/12/11/01/603121101.db2.gz LMBJXAWGJGDVHJ-VIFPVBQESA-N -1 0 209.245 2.793 20 0 BFADRM Cc1ccc(C)c([C@H]2CN(C(=O)[O-])[C@H](C)CO2)c1 ZINC000738572723 603139768 /nfs/dbraw/zinc/13/97/68/603139768.db2.gz CXHAASGTLMGBLJ-DGCLKSJQSA-N -1 0 249.310 2.743 20 0 BFADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)[O-])C1 ZINC000736759379 603144350 /nfs/dbraw/zinc/14/43/50/603144350.db2.gz JFLCQQRDSGTTSD-GZMMTYOYSA-N -1 0 223.247 2.887 20 0 BFADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[O-])C1 ZINC000736759381 603144371 /nfs/dbraw/zinc/14/43/71/603144371.db2.gz JFLCQQRDSGTTSD-KWQFWETISA-N -1 0 223.247 2.887 20 0 BFADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[O-])C1 ZINC000736759382 603144522 /nfs/dbraw/zinc/14/45/22/603144522.db2.gz JFLCQQRDSGTTSD-LDYMZIIASA-N -1 0 223.247 2.887 20 0 BFADRM O=C([O-])N1CC[C@H](CSC2CCCC2)C1 ZINC000740496597 603372113 /nfs/dbraw/zinc/37/21/13/603372113.db2.gz ODJFCPJMCAULNF-VIFPVBQESA-N -1 0 229.345 2.662 20 0 BFADRM Cc1ccc(CNC(=O)[O-])c(OCC2CC2)c1 ZINC000830317248 603583374 /nfs/dbraw/zinc/58/33/74/603583374.db2.gz NUIQARIQZKTSLA-UHFFFAOYSA-N -1 0 235.283 2.551 20 0 BFADRM Cc1nc(CS[C@H](C)CC(=O)[O-])sc1C ZINC000087375216 604360219 /nfs/dbraw/zinc/36/02/19/604360219.db2.gz OHGBGURCZDKTQW-ZCFIWIBFSA-N -1 0 245.369 2.856 20 0 BFADRM C[C@H]1CCCC[C@H]1Nc1cccc(C(=O)[O-])n1 ZINC000051042102 604625030 /nfs/dbraw/zinc/62/50/30/604625030.db2.gz DICJGNSKQABKLY-VHSXEESVSA-N -1 0 234.299 2.770 20 0 BFADRM C[C@@H](SCCSc1ccccc1)C(=O)[O-] ZINC000038078690 604624845 /nfs/dbraw/zinc/62/48/45/604624845.db2.gz FMXGVHADWZYVQW-SECBINFHSA-N -1 0 242.365 2.985 20 0 BFADRM C[C@H](SCc1cnc(Cl)s1)C(=O)[O-] ZINC000086765509 604711666 /nfs/dbraw/zinc/71/16/66/604711666.db2.gz YPGKXGMPMARYIS-BYPYZUCNSA-N -1 0 237.733 2.503 20 0 BFADRM C[C@H]1CCC[C@@H](CSCC(=O)[O-])C1 ZINC000379397591 604792249 /nfs/dbraw/zinc/79/22/49/604792249.db2.gz DUYFNXKPPQPFNR-DTWKUNHWSA-N -1 0 202.319 2.631 20 0 BFADRM CCc1nc(NCC2CCC2)sc1C(=O)[O-] ZINC000721285023 604922061 /nfs/dbraw/zinc/92/20/61/604922061.db2.gz YDEUMAWUHNHXGO-UHFFFAOYSA-N -1 0 240.328 2.616 20 0 BFADRM CC(C)(C)C[C@@H](S[C@H]1CCCOC1)C(=O)[O-] ZINC000833428849 605158938 /nfs/dbraw/zinc/15/89/38/605158938.db2.gz AGDYOLVWKTVVQQ-VHSXEESVSA-N -1 0 246.372 2.788 20 0 BFADRM C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000226495702 605319845 /nfs/dbraw/zinc/31/98/45/605319845.db2.gz QLUQQUKUJRRRQQ-BXKDBHETSA-N -1 0 247.294 2.760 20 0 BFADRM C[C@H]1CCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000226495711 605319794 /nfs/dbraw/zinc/31/97/94/605319794.db2.gz QLUQQUKUJRRRQQ-JOYOIKCWSA-N -1 0 247.294 2.760 20 0 BFADRM Cc1cc(C(=O)OCC2CC2)ccc1NC(=O)[O-] ZINC000829976486 605827892 /nfs/dbraw/zinc/82/78/92/605827892.db2.gz NXHIZNUJZXTLEJ-UHFFFAOYSA-N -1 0 249.266 2.652 20 0 BFADRM Cc1nc(N[C@H]2CC=CCC2)ccc1C(=O)[O-] ZINC000124308879 634410616 /nfs/dbraw/zinc/41/06/16/634410616.db2.gz NOIQFMWRZPKWGC-JTQLQIEISA-N -1 0 232.283 2.609 20 0 BFADRM CCC[C@@H](CNc1nccc2occc21)C(=O)[O-] ZINC000233292317 635532365 /nfs/dbraw/zinc/53/23/65/635532365.db2.gz IVVXBDDOPOPPTA-VIFPVBQESA-N -1 0 248.282 2.741 20 0 BFADRM CCCCS[C@@H](C)C(=O)[N-]OCC(C)C ZINC000153510366 632819957 /nfs/dbraw/zinc/81/99/57/632819957.db2.gz QWWASIHSWRJSPF-JTQLQIEISA-N -1 0 233.377 2.612 20 0 BFADRM CC(C)C(C)N=Nc1ccc(C(=O)[O-])cc1 ZINC000256882194 633173792 /nfs/dbraw/zinc/17/37/92/633173792.db2.gz UNDIWHYFUVTYKY-UHFFFAOYSA-N -1 0 220.272 2.829 20 0 BFADRM CC/C(C)=C/C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000909518166 636137369 /nfs/dbraw/zinc/13/73/69/636137369.db2.gz UEGZKVSYXYKJKN-QPJJXVBHSA-N -1 0 239.296 2.741 20 0 BFADRM COc1ccc(-c2cc(C)ns2)c(C(=O)[O-])c1 ZINC000312055897 633897793 /nfs/dbraw/zinc/89/77/93/633897793.db2.gz ZKHHLRARDGPQBY-UHFFFAOYSA-N -1 0 249.291 2.825 20 0 BFADRM CCc1ccc(N[C@H](C)CC(=O)[O-])cc1 ZINC000035748400 634094314 /nfs/dbraw/zinc/09/43/14/634094314.db2.gz ZKDUHQFPWNOWKF-SECBINFHSA-N -1 0 207.273 2.524 20 0 BFADRM CCCCC[C@H](C)Nc1cc(C(=O)[O-])ncn1 ZINC000310224379 634096430 /nfs/dbraw/zinc/09/64/30/634096430.db2.gz XTNQQQWVGAHIHX-VIFPVBQESA-N -1 0 237.303 2.556 20 0 BFADRM CC/C(C)=C/C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000909333455 634357621 /nfs/dbraw/zinc/35/76/21/634357621.db2.gz RRNSNQOCZWLUKP-JXMROGBWSA-N -1 0 247.294 2.609 20 0 BFADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccccc1C(C)C ZINC000258600094 635170415 /nfs/dbraw/zinc/17/04/15/635170415.db2.gz ACDGHFUWWJQPDT-JTQLQIEISA-N -1 0 249.310 2.859 20 0 BFADRM CC(C)(CCNc1ccc(F)c(F)c1)C(=O)[O-] ZINC000258900940 635223637 /nfs/dbraw/zinc/22/36/37/635223637.db2.gz ODOQXKSBXPMYDR-UHFFFAOYSA-N -1 0 243.253 2.878 20 0 BFADRM CC[C@@](C)(CNc1cccc(C(=O)[O-])c1)OC ZINC000322970667 636886190 /nfs/dbraw/zinc/88/61/90/636886190.db2.gz WWCFJCUQVGYWKE-ZDUSSCGKSA-N -1 0 237.299 2.612 20 0 BFADRM Cc1cc(N[C@H](C)[C@@H]2C[C@@H]2C(=O)[O-])ccc1F ZINC000902096322 637279448 /nfs/dbraw/zinc/27/94/48/637279448.db2.gz HLLXYQOQPVWWMW-MIMYLULJSA-N -1 0 237.274 2.655 20 0 BFADRM Cc1cc(N[C@H](C)[C@@H]2CCCO2)cc(C(=O)[O-])c1 ZINC000905755497 637912184 /nfs/dbraw/zinc/91/21/84/637912184.db2.gz UWPKIGIWLMQEFM-MFKMUULPSA-N -1 0 249.310 2.673 20 0 BFADRM Cc1cc(NCC[C@@H]2CCOC2)cc(C(=O)[O-])c1 ZINC000905753428 637912362 /nfs/dbraw/zinc/91/23/62/637912362.db2.gz KUQWODNGIPCBNK-LLVKDONJSA-N -1 0 249.310 2.532 20 0 BFADRM Cc1cc(N[C@@H]2CCO[C@H](C)C2)cc(C(=O)[O-])c1 ZINC000905756206 637912718 /nfs/dbraw/zinc/91/27/18/637912718.db2.gz WMVLQCJRCTVFJH-ZYHUDNBSSA-N -1 0 249.310 2.673 20 0 BFADRM CCc1cc(C(=O)[O-])ccc1-c1cnn(C)c1C ZINC000906246662 638117159 /nfs/dbraw/zinc/11/71/59/638117159.db2.gz UDNARHIACAQWPM-UHFFFAOYSA-N -1 0 244.294 2.656 20 0 BFADRM Cc1coc(-c2cn(C(C)C)nc2C(=O)[O-])c1 ZINC000906251116 638117363 /nfs/dbraw/zinc/11/73/63/638117363.db2.gz PVAUBIOZPAXPKF-UHFFFAOYSA-N -1 0 234.255 2.731 20 0 BFADRM CC[C@@H](C)CO[N-]C(=O)/C(F)=C(/C)C1CC1 ZINC000908353340 638664313 /nfs/dbraw/zinc/66/43/13/638664313.db2.gz WBARRYCWJPJCFX-ITCPUHJZSA-N -1 0 229.295 2.734 20 0 BFADRM CCC[C@](C)(NC(=O)CC[C@H](C)CC)C(=O)[O-] ZINC000908870370 639083068 /nfs/dbraw/zinc/08/30/68/639083068.db2.gz ZMHKIAURIJRNCZ-MFKMUULPSA-N -1 0 243.347 2.572 20 0 BFADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCCC(C)C ZINC000909310587 639203842 /nfs/dbraw/zinc/20/38/42/639203842.db2.gz BLUNJHGMRFISIC-NSHDSACASA-N -1 0 243.347 2.524 20 0 BFADRM C/C=C(\C)C(=O)N(CC)c1cccc(C(=O)[O-])c1 ZINC000910971829 639552698 /nfs/dbraw/zinc/55/26/98/639552698.db2.gz SNOKIBVHLLKSKP-ONNFQVAWSA-N -1 0 247.294 2.704 20 0 BFADRM CCc1ccc(NC(=O)[C@@H](CC)C(=O)[O-])cc1C ZINC000911654655 639709981 /nfs/dbraw/zinc/70/99/81/639709981.db2.gz LRQHDRNVNMOFQS-GFCCVEGCSA-N -1 0 249.310 2.607 20 0 BFADRM CCCN(C(=O)CC(C)(C)CC)[C@@H](C)C(=O)[O-] ZINC000911713959 639740313 /nfs/dbraw/zinc/74/03/13/639740313.db2.gz NIYXRYUHQWPARN-JTQLQIEISA-N -1 0 243.347 2.524 20 0 BFADRM CCCC[C@H](C)C(=O)N(CCC)[C@H](C)C(=O)[O-] ZINC000911706477 639759919 /nfs/dbraw/zinc/75/99/19/639759919.db2.gz HXOFWPOIMXTDNA-WDEREUQCSA-N -1 0 243.347 2.524 20 0 BFADRM CCCCC1(C(=O)NO[C@@H]2CCCCO2)CC1 ZINC000931316314 640156086 /nfs/dbraw/zinc/15/60/86/640156086.db2.gz CGLZHXYKYFJRMK-LLVKDONJSA-N -1 0 241.331 2.531 20 0 BFADRM Cc1nc(N(C)[C@@H](C)C(C)C)sc1C(=O)[O-] ZINC000054968256 640422919 /nfs/dbraw/zinc/42/29/19/640422919.db2.gz YOQUITJHXOVOGZ-QMMMGPOBSA-N -1 0 242.344 2.630 20 0 BFADRM O=C([O-])c1cccc(NC[C@@H]2CCSC2)c1 ZINC000224312552 640609946 /nfs/dbraw/zinc/60/99/46/640609946.db2.gz FCHJCDJAPRATPK-VIFPVBQESA-N -1 0 237.324 2.550 20 0 BFADRM CCC[C@H](CC)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000061827428 640998187 /nfs/dbraw/zinc/99/81/87/640998187.db2.gz MRWUJXNLNQWJTQ-JTQLQIEISA-N -1 0 243.347 2.572 20 0 BFADRM Cc1c(Cl)cccc1N[C@@H](C)C(=O)[O-] ZINC000043626085 641569974 /nfs/dbraw/zinc/56/99/74/641569974.db2.gz ZEKHIIZUPORGBJ-ZETCQYMHSA-N -1 0 213.664 2.533 20 0 BFADRM C[C@@H](Nc1ccc(C(=O)[O-])cn1)C(C)(C)C ZINC000159037019 641661518 /nfs/dbraw/zinc/66/15/18/641661518.db2.gz IDKIITSCPNJAMT-MRVPVSSYSA-N -1 0 222.288 2.626 20 0 BFADRM CCCc1cc(=O)n(CC2CCCCC2)[n-]1 ZINC000917345886 642045649 /nfs/dbraw/zinc/04/56/49/642045649.db2.gz OPOXHDLNYJCYGN-UHFFFAOYSA-N -1 0 222.332 2.955 20 0 BFADRM CCC(CC)(CC)Sc1c(C)[n-][nH]c1=O ZINC000917562539 642082795 /nfs/dbraw/zinc/08/27/95/642082795.db2.gz OYWZYPSORWIJOU-VIFPVBQESA-N -1 0 228.361 2.563 20 0 BFADRM CCC1(CNc2nc(C)c(C(=O)[O-])s2)CC1 ZINC000232986546 642643479 /nfs/dbraw/zinc/64/34/79/642643479.db2.gz NTVDHGYUFSYSQV-UHFFFAOYSA-N -1 0 240.328 2.752 20 0 BFADRM CCC(C)(C)N(C)C(=O)CC(C)(C)CC(=O)[O-] ZINC000069433105 642864421 /nfs/dbraw/zinc/86/44/21/642864421.db2.gz CWXBAINWPMWILX-UHFFFAOYSA-N -1 0 243.347 2.524 20 0 BFADRM CCO[N-]C(=O)[C@@H](c1ccccc1)[C@@H](C)CC ZINC000070275265 643009657 /nfs/dbraw/zinc/00/96/57/643009657.db2.gz AKKZRGFCWQNMIP-WCQYABFASA-N -1 0 235.327 2.884 20 0 BFADRM CCO[N-]C(=O)[C@H](c1ccccc1)[C@@H](C)CC ZINC000070275262 643010007 /nfs/dbraw/zinc/01/00/07/643010007.db2.gz AKKZRGFCWQNMIP-AAEUAGOBSA-N -1 0 235.327 2.884 20 0 BFADRM Cc1cc(C)cc(N(C)C(=O)CCCC(=O)[O-])c1 ZINC000049985771 643627274 /nfs/dbraw/zinc/62/72/74/643627274.db2.gz YQNSUWZHJBWLQD-UHFFFAOYSA-N -1 0 249.310 2.521 20 0 BFADRM CCN1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC000084785680 643672214 /nfs/dbraw/zinc/67/22/14/643672214.db2.gz BSZBGXQDGXMJHF-LLVKDONJSA-N -1 0 233.311 2.550 20 0 BFADRM C[C@H](Nc1ccc(SC(F)F)cc1)C(=O)[O-] ZINC000085230879 643696033 /nfs/dbraw/zinc/69/60/33/643696033.db2.gz APHUXNFJXDPLHB-LURJTMIESA-N -1 0 247.266 2.886 20 0 BFADRM CC(C)c1ccc(-c2nn(C)cc2C(=O)[O-])cc1 ZINC000011920519 643873022 /nfs/dbraw/zinc/87/30/22/643873022.db2.gz STWSFUFVFARVJF-UHFFFAOYSA-N -1 0 244.294 2.909 20 0 BFADRM Cc1cc(-c2ccsc2C(=O)[O-])sn1 ZINC000074007705 644157504 /nfs/dbraw/zinc/15/75/04/644157504.db2.gz WPAJZMQLUIUAOZ-UHFFFAOYSA-N -1 0 225.294 2.878 20 0 BFADRM CC(C)CC(C)(C)C(=O)NO[C@@H]1CCCCO1 ZINC000084591050 644427541 /nfs/dbraw/zinc/42/75/41/644427541.db2.gz QYFKMTCKKYUOMZ-LLVKDONJSA-N -1 0 243.347 2.633 20 0 BFADRM CC[C@H](C)C[C@@H](C)NC(=O)CCCCC(=O)[O-] ZINC000088297472 644515086 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NDPVZDVEKGCXIN-UHFFFAOYSA-N -1 0 246.353 2.634 20 0 BFADRM CCCCCC(C)(C)C(=O)NCCCC(=O)[O-] ZINC000769495263 601810689 /nfs/dbraw/zinc/81/06/89/601810689.db2.gz NOTHRVZKHSQBCH-UHFFFAOYSA-N -1 0 243.347 2.574 20 0 BFADRM CC1(C)CCCC[C@H]1Nc1ccc(C(=O)[O-])nn1 ZINC000094330326 601931735 /nfs/dbraw/zinc/93/17/35/601931735.db2.gz BHOFJYSDEJUHOI-SNVBAGLBSA-N -1 0 249.314 2.556 20 0 BFADRM CCCc1ccc(NC(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000258766892 602072472 /nfs/dbraw/zinc/07/24/72/602072472.db2.gz ROOPEVQTDYBZHU-JTQLQIEISA-N -1 0 249.310 2.688 20 0 BFADRM CCc1cnc(CNc2cccc(C(=O)[O-])c2)o1 ZINC000231684890 602126383 /nfs/dbraw/zinc/12/63/83/602126383.db2.gz KYMJJUYTSBCGBM-UHFFFAOYSA-N -1 0 246.266 2.547 20 0 BFADRM CC[C@H](C)COc1ccc(CC(=O)[O-])cc1 ZINC000050423329 602156316 /nfs/dbraw/zinc/15/63/16/602156316.db2.gz OEPUTDCBHGHCHT-JTQLQIEISA-N -1 0 222.284 2.739 20 0 BFADRM O=C([O-])Nc1ccccc1NC(=O)C1CCCC1 ZINC000740714332 602178738 /nfs/dbraw/zinc/17/87/38/602178738.db2.gz NFKKSCQNSPHBQU-UHFFFAOYSA-N 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COCCCCN(Cc1ccccc1)C(=O)[O-] ZINC000739811251 602668974 /nfs/dbraw/zinc/66/89/74/602668974.db2.gz UCJAHYWKDHYPCD-UHFFFAOYSA-N -1 0 237.299 2.593 20 0 BFADRM O=C([O-])N[C@H]1CCc2c1cccc2Cl ZINC000740600538 602668978 /nfs/dbraw/zinc/66/89/78/602668978.db2.gz ITZGCHYFKVEUFA-VIFPVBQESA-N -1 0 211.648 2.595 20 0 BFADRM O=C([O-])N(Cc1ccccc1)CC1CCC1 ZINC000740489369 602669037 /nfs/dbraw/zinc/66/90/37/602669037.db2.gz ZUPQQXUBGYVNQM-UHFFFAOYSA-N -1 0 219.284 2.967 20 0 BFADRM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)[O-] ZINC000739645515 602670008 /nfs/dbraw/zinc/67/00/08/602670008.db2.gz POSBGNRFJGWRIK-STQMWFEESA-N -1 0 249.310 2.764 20 0 BFADRM COc1cccc(N(CC(C)C)C(=O)[O-])c1 ZINC000739948775 602670363 /nfs/dbraw/zinc/67/03/63/602670363.db2.gz BEPCZOJRTBPVTB-UHFFFAOYSA-N -1 0 223.272 2.836 20 0 BFADRM O=C([O-])N[C@@H]1CCCCc2ccccc21 ZINC000739927698 602670741 /nfs/dbraw/zinc/67/07/41/602670741.db2.gz DNPPHYHWYCGDHM-LLVKDONJSA-N -1 0 205.257 2.722 20 0 BFADRM Cc1nc(-c2ccccc2)sc1CNC(=O)[O-] ZINC000738831498 602671254 /nfs/dbraw/zinc/67/12/54/602671254.db2.gz GVXGFKYPZPDYJR-UHFFFAOYSA-N -1 0 248.307 2.886 20 0 BFADRM O=C([O-])N1CCCc2c(Cl)ccc(F)c21 ZINC000740523088 602709433 /nfs/dbraw/zinc/70/94/33/602709433.db2.gz DULXIZIGDVCUMX-UHFFFAOYSA-N -1 0 229.638 2.910 20 0 BFADRM O=C([O-])NCCCO[C@H]1CCCc2ccccc21 ZINC000739973286 603035824 /nfs/dbraw/zinc/03/58/24/603035824.db2.gz WLWHPKNMKZSZFC-ZDUSSCGKSA-N -1 0 249.310 2.738 20 0 BFADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[O-])C1 ZINC000736759380 603144504 /nfs/dbraw/zinc/14/45/04/603144504.db2.gz JFLCQQRDSGTTSD-KCJUWKMLSA-N -1 0 223.247 2.887 20 0 BFADRM Cc1cc(C)cc(C[C@H](C)NC(=O)[O-])c1 ZINC000738364335 603144510 /nfs/dbraw/zinc/14/45/10/603144510.db2.gz UCMPWTGKIMRLQW-JTQLQIEISA-N -1 0 207.273 2.502 20 0 BFADRM O=C([O-])N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000739925137 603144521 /nfs/dbraw/zinc/14/45/21/603144521.db2.gz VNGDEPAYFIJDRV-SECBINFHSA-N -1 0 211.648 2.765 20 0 BFADRM O=C([O-])NCCS[C@H]1CCc2ccccc21 ZINC000740666762 603161518 /nfs/dbraw/zinc/16/15/18/603161518.db2.gz AEWPSQJRMKGJJM-NSHDSACASA-N -1 0 237.324 2.675 20 0 BFADRM CCC(CC)SC[C@H]1CCN(C(=O)[O-])C1 ZINC000739254434 603373816 /nfs/dbraw/zinc/37/38/16/603373816.db2.gz RBSNADQUCMXPIM-VIFPVBQESA-N -1 0 231.361 2.908 20 0 BFADRM O=C([O-])N1CCc2cc(NCC3CC3)ccc21 ZINC000832080156 604300209 /nfs/dbraw/zinc/30/02/09/604300209.db2.gz RZYUBZINXRMJAC-UHFFFAOYSA-N -1 0 232.283 2.549 20 0 BFADRM C[C@@H]1CCCC[C@@H]1Nc1cccc(C(=O)[O-])n1 ZINC000051042099 604624795 /nfs/dbraw/zinc/62/47/95/604624795.db2.gz DICJGNSKQABKLY-ZJUUUORDSA-N -1 0 234.299 2.770 20 0 BFADRM C[C@@H](Nc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC000051041837 604712531 /nfs/dbraw/zinc/71/25/31/604712531.db2.gz RUMAMBOZPBSVCX-SNVBAGLBSA-N -1 0 242.278 2.953 20 0 BFADRM CC[C@@H](C)[C@@H](C)Nc1cccc(C(=O)[O-])n1 ZINC000051043679 604713930 /nfs/dbraw/zinc/71/39/30/604713930.db2.gz GIHSXCLXFJLXAR-RKDXNWHRSA-N -1 0 222.288 2.626 20 0 BFADRM CC[C@@H](C)[C@H](C)Nc1cccc(C(=O)[O-])n1 ZINC000051043682 604713989 /nfs/dbraw/zinc/71/39/89/604713989.db2.gz GIHSXCLXFJLXAR-BDAKNGLRSA-N -1 0 222.288 2.626 20 0 BFADRM C=C(Cl)CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000037918813 604920086 /nfs/dbraw/zinc/92/00/86/604920086.db2.gz WFBFCZBACKLQTQ-UHFFFAOYSA-N -1 0 239.702 2.569 20 0 BFADRM CCc1nc(NC2CCCC2)sc1C(=O)[O-] ZINC000721283269 604922386 /nfs/dbraw/zinc/92/23/86/604922386.db2.gz OAXYFQJARGGOBH-UHFFFAOYSA-N -1 0 240.328 2.758 20 0 BFADRM CCC[C@@H](C(=O)OC/C=C(\C)C(=O)[O-])C(C)C ZINC000833647367 605036238 /nfs/dbraw/zinc/03/62/38/605036238.db2.gz DGJSGDBEMUNYBC-PFEDMVJOSA-N -1 0 242.315 2.633 20 0 BFADRM CC(C)Oc1ccc(N[C@@H](C(=O)[O-])C2CC2)cc1 ZINC000232445482 605061256 /nfs/dbraw/zinc/06/12/56/605061256.db2.gz TXLCASDSZSCYKR-CYBMUJFWSA-N -1 0 249.310 2.749 20 0 BFADRM CCOc1cc(N[C@@H](C(=O)[O-])C2CC2)ccc1C ZINC000690204188 605063046 /nfs/dbraw/zinc/06/30/46/605063046.db2.gz OYEIHKVDNSGQCX-CYBMUJFWSA-N -1 0 249.310 2.669 20 0 BFADRM CC(C)SCc1ccccc1CC(=O)[O-] ZINC000169094436 605140627 /nfs/dbraw/zinc/14/06/27/605140627.db2.gz YQQSMYQWKYCRKB-UHFFFAOYSA-N -1 0 224.325 2.955 20 0 BFADRM C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000226495688 605318744 /nfs/dbraw/zinc/31/87/44/605318744.db2.gz QLUQQUKUJRRRQQ-SKDRFNHKSA-N -1 0 247.294 2.760 20 0 BFADRM CC(C)(C)[C@H]1CCN(c2cccc(C(=O)[O-])n2)C1 ZINC000160200082 605382739 /nfs/dbraw/zinc/38/27/39/605382739.db2.gz APLWGWLXOMRNGQ-JTQLQIEISA-N -1 0 248.326 2.652 20 0 BFADRM Cc1nc(N(C)[C@H](C)C(C)C)ccc1C(=O)[O-] ZINC000124178251 634396474 /nfs/dbraw/zinc/39/64/74/634396474.db2.gz ZFFALGNXWOWOOD-SNVBAGLBSA-N -1 0 236.315 2.569 20 0 BFADRM Cc1nc(N2CCC[C@H](C)CC2)ccc1C(=O)[O-] ZINC000124276089 634406598 /nfs/dbraw/zinc/40/65/98/634406598.db2.gz AIVGCNFOQGIEOP-JTQLQIEISA-N -1 0 248.326 2.715 20 0 BFADRM CC(C)[C@@H](C)Nc1cccc(OCC(=O)[O-])c1 ZINC000318869814 635451393 /nfs/dbraw/zinc/45/13/93/635451393.db2.gz KBNMFMSYDYABKR-SNVBAGLBSA-N -1 0 237.299 2.606 20 0 BFADRM Cc1csc(C(C#N)=C([O-])C2=CCCC2)n1 ZINC000161164378 631788571 /nfs/dbraw/zinc/78/85/71/631788571.db2.gz OCHWGWGRDQHDBS-SNVBAGLBSA-N -1 0 232.308 2.738 20 0 BFADRM C[C@@H](Nc1cccc(CCC(=O)[O-])c1)C1CC1 ZINC000263501704 632600583 /nfs/dbraw/zinc/60/05/83/632600583.db2.gz KZEUUXCBADTIGU-SNVBAGLBSA-N -1 0 233.311 2.914 20 0 BFADRM CC(C)=CC(=O)Nc1cccc(Cl)c1[O-] ZINC000177628110 632854799 /nfs/dbraw/zinc/85/47/99/632854799.db2.gz TWHCBCWLFRWUDF-UHFFFAOYSA-N -1 0 225.675 2.950 20 0 BFADRM C[C@H](C(=O)[O-])C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000077427373 636037255 /nfs/dbraw/zinc/03/72/55/636037255.db2.gz ZHVWURJIDVQCNE-VIFPVBQESA-N -1 0 249.310 2.643 20 0 BFADRM C/C=C(/CC)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000909517122 636137431 /nfs/dbraw/zinc/13/74/31/636137431.db2.gz AZXNEAFZOKUMKZ-CLTKARDFSA-N -1 0 239.296 2.741 20 0 BFADRM CCCCCC(=O)N(CCC(=O)[O-])CC(C)C ZINC000236831524 634019256 /nfs/dbraw/zinc/01/92/56/634019256.db2.gz HSFUHUPSINPYNV-UHFFFAOYSA-N -1 0 243.347 2.526 20 0 BFADRM Cc1ccccc1NCCC(C)(C)C(=O)[O-] ZINC000258768457 635196830 /nfs/dbraw/zinc/19/68/30/635196830.db2.gz YMSJHTMQXIXWDG-UHFFFAOYSA-N -1 0 221.300 2.908 20 0 BFADRM CCCc1cc(=O)n(Cc2ccccc2C)[n-]1 ZINC000107893150 635496454 /nfs/dbraw/zinc/49/64/54/635496454.db2.gz UXRBFKDWXIZMKH-UHFFFAOYSA-N -1 0 230.311 2.883 20 0 BFADRM CC/C(C)=C\C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000909504256 636121378 /nfs/dbraw/zinc/12/13/78/636121378.db2.gz FCCIVHHNQBOHKT-NTMALXAHSA-N -1 0 247.294 2.609 20 0 BFADRM C[C@@H](CCC(=O)[O-])NC(=O)CCCC(C)(C)C ZINC000237500033 637009015 /nfs/dbraw/zinc/00/90/15/637009015.db2.gz RKPVZQYMIDYLDA-JTQLQIEISA-N -1 0 243.347 2.572 20 0 BFADRM Cc1cc(N[C@H](C)[C@H]2C[C@@H]2C(=O)[O-])ccc1F ZINC000902096320 637280533 /nfs/dbraw/zinc/28/05/33/637280533.db2.gz HLLXYQOQPVWWMW-IEBDPFPHSA-N -1 0 237.274 2.655 20 0 BFADRM C[C@@H]1CCC[C@@H](c2nc(=O)c3nscc3[n-]2)C1 ZINC000905032039 637553273 /nfs/dbraw/zinc/55/32/73/637553273.db2.gz SYVCULFYQIVBOL-HTQZYQBOSA-N -1 0 249.339 2.673 20 0 BFADRM Cc1cc(NCC2(F)CC2)cc(C(=O)[O-])c1 ZINC000905753382 637912419 /nfs/dbraw/zinc/91/24/19/637912419.db2.gz JPGRBYGPSMFSLW-UHFFFAOYSA-N -1 0 223.247 2.607 20 0 BFADRM CC[C@H](COC)Nc1cc(C)cc(C(=O)[O-])c1 ZINC000905755360 637912941 /nfs/dbraw/zinc/91/29/41/637912941.db2.gz SISAYHDIHDEGOA-LLVKDONJSA-N -1 0 237.299 2.530 20 0 BFADRM Cc1cc(NCC2CC2)cc(C(=O)[O-])c1 ZINC000905753511 637913133 /nfs/dbraw/zinc/91/31/33/637913133.db2.gz MZSBFPJYMWCPJC-UHFFFAOYSA-N -1 0 205.257 2.515 20 0 BFADRM CC[C@H](C)CO[N-]C(=O)/C(F)=C(/C)C1CC1 ZINC000908353341 638663744 /nfs/dbraw/zinc/66/37/44/638663744.db2.gz WBARRYCWJPJCFX-QMIUEANQSA-N -1 0 229.295 2.734 20 0 BFADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCCC(C)C ZINC000909310585 639203006 /nfs/dbraw/zinc/20/30/06/639203006.db2.gz BLUNJHGMRFISIC-LLVKDONJSA-N -1 0 243.347 2.524 20 0 BFADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@@H]1C ZINC000910960439 639543447 /nfs/dbraw/zinc/54/34/47/639543447.db2.gz CQNAOYCUGOKSOE-KWQFWETISA-N -1 0 247.294 2.542 20 0 BFADRM Cc1cc(NC(=O)C2(C)CCC2)cc(C(=O)[O-])c1 ZINC000911069661 639572663 /nfs/dbraw/zinc/57/26/63/639572663.db2.gz CSGSADKBFAOAFE-UHFFFAOYSA-N -1 0 247.294 2.822 20 0 BFADRM Cc1cc(NC(=O)CCC2CC2)cc(C(=O)[O-])c1 ZINC000911070665 639573050 /nfs/dbraw/zinc/57/30/50/639573050.db2.gz IBROLNWHHNLSAZ-UHFFFAOYSA-N -1 0 247.294 2.822 20 0 BFADRM CCC[C@H](CC)NC(=O)C(C)(C)CCC(=O)[O-] ZINC000911309727 639616975 /nfs/dbraw/zinc/61/69/75/639616975.db2.gz LHHKMUYWFCMVGS-JTQLQIEISA-N -1 0 243.347 2.572 20 0 BFADRM CCCN(C(=O)CC(C)(C)CC)[C@H](C)C(=O)[O-] ZINC000911713961 639740344 /nfs/dbraw/zinc/74/03/44/639740344.db2.gz NIYXRYUHQWPARN-SNVBAGLBSA-N -1 0 243.347 2.524 20 0 BFADRM CCC[C@@H](CC)C(=O)N(CCC)[C@H](C)C(=O)[O-] ZINC000911701043 639756221 /nfs/dbraw/zinc/75/62/21/639756221.db2.gz MXYBDTAYXKTKFE-GHMZBOCLSA-N -1 0 243.347 2.524 20 0 BFADRM CCCCCC[C@H](C)NC(=O)CCCC(=O)[O-] ZINC000037796202 711481061 /nfs/dbraw/zinc/48/10/61/711481061.db2.gz AOHQIJULNDOACQ-NSHDSACASA-N -1 0 243.347 2.716 20 0 BFADRM Cc1c(N[C@H](C)[C@H]2CCOC2)cccc1C(=O)[O-] ZINC000163973883 640431955 /nfs/dbraw/zinc/43/19/55/640431955.db2.gz MLELTVZOWGXBND-MNOVXSKESA-N -1 0 249.310 2.530 20 0 BFADRM CC(C)=CC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000057351550 640600736 /nfs/dbraw/zinc/60/07/36/640600736.db2.gz IUIKZNWEPDBBSE-UHFFFAOYSA-N -1 0 233.267 2.598 20 0 BFADRM O=C([O-])COc1ccc(NC2CCCC2)cc1 ZINC000167957870 640767759 /nfs/dbraw/zinc/76/77/59/640767759.db2.gz VERODTXRSJOSST-UHFFFAOYSA-N -1 0 235.283 2.505 20 0 BFADRM O=C([O-])C1(CNc2nccs2)CCCCC1 ZINC000168176524 640791898 /nfs/dbraw/zinc/79/18/98/640791898.db2.gz PBLQAIMPCYOMDJ-UHFFFAOYSA-N -1 0 240.328 2.590 20 0 BFADRM C[C@@H]1CC[C@H](C)N1C(=O)c1cccc(F)c1[O-] ZINC000934581914 641210237 /nfs/dbraw/zinc/21/02/37/641210237.db2.gz NQUGHDKNISSMJU-DTORHVGOSA-N -1 0 237.274 2.544 20 0 BFADRM Cc1nc(N2CC[C@H](C)[C@H](C)C2)ccc1C(=O)[O-] ZINC000130117400 641369614 /nfs/dbraw/zinc/36/96/14/641369614.db2.gz AKECSVAJBUHEAG-VHSXEESVSA-N -1 0 248.326 2.571 20 0 BFADRM CCCCC[C@@H](C)Nc1ccc(C(=O)[O-])nn1 ZINC000042573843 641554039 /nfs/dbraw/zinc/55/40/39/641554039.db2.gz BDBVTCJIFGEJMW-SECBINFHSA-N -1 0 237.303 2.556 20 0 BFADRM Cc1cccc(-c2c(C(=O)[O-])nn3c2CCC3)c1 ZINC000212615471 641657634 /nfs/dbraw/zinc/65/76/34/641657634.db2.gz GWBLRVPWYJUMEM-UHFFFAOYSA-N -1 0 242.278 2.503 20 0 BFADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H](C)C(C)C ZINC000070122110 642971581 /nfs/dbraw/zinc/97/15/81/642971581.db2.gz DZGCQEOWOGKUPY-SNVBAGLBSA-N -1 0 249.310 2.924 20 0 BFADRM CCC(C)(C)CC(=O)[N-]S(=O)(=O)CC(C)C ZINC000075028382 643244892 /nfs/dbraw/zinc/24/48/92/643244892.db2.gz OLSLTPHAZMCAGU-UHFFFAOYSA-N -1 0 249.376 2.755 20 0 BFADRM CCCC[C@@H](NC(=O)CC(CC)CC)C(=O)[O-] ZINC000184992662 643257867 /nfs/dbraw/zinc/25/78/67/643257867.db2.gz FSOPFHORVZMJSD-LLVKDONJSA-N -1 0 243.347 2.572 20 0 BFADRM CCN(C(=O)CC(CC)(CC)C(=O)[O-])C(C)C ZINC000035282291 643452302 /nfs/dbraw/zinc/45/23/02/643452302.db2.gz UXZXJUUOCVPLKX-UHFFFAOYSA-N -1 0 243.347 2.524 20 0 BFADRM Cc1ccc(-c2cnn(CCC(=O)[O-])c2)c(C)c1 ZINC000049831770 643472814 /nfs/dbraw/zinc/47/28/14/643472814.db2.gz AXOBDUTXMKEREH-UHFFFAOYSA-N -1 0 244.294 2.642 20 0 BFADRM CCCCCC[C@@H](CC)C(=O)NCCC(=O)[O-] ZINC000167823367 643626068 /nfs/dbraw/zinc/62/60/68/643626068.db2.gz LZGWRXBATNCVNQ-LLVKDONJSA-N -1 0 243.347 2.574 20 0 BFADRM C/C(=C/CN1c2ccccc2CC[C@@H]1C)C(=O)[O-] ZINC000088630362 644524440 /nfs/dbraw/zinc/52/44/40/644524440.db2.gz FQIJDFHZXMJKRP-MMRAYRKESA-N -1 0 245.322 2.859 20 0 BFADRM CCCCCC[C@@H](C)C(=O)NCCCC(=O)[O-] ZINC000769495911 644682256 /nfs/dbraw/zinc/68/22/56/644682256.db2.gz ROUJZCUMNOLYLS-LLVKDONJSA-N -1 0 243.347 2.574 20 0 BFADRM Cc1ccc([C@H](C)C(=O)[N-]OC2CCCC2)o1 ZINC000774865178 644699487 /nfs/dbraw/zinc/69/94/87/644699487.db2.gz GAFRFTLCYVHKBO-JTQLQIEISA-N -1 0 237.299 2.682 20 0 BFADRM CCC(CC)Nc1cccc(OCC(=O)[O-])c1 ZINC000094674982 644724962 /nfs/dbraw/zinc/72/49/62/644724962.db2.gz CPGFUVXHXQETRE-UHFFFAOYSA-N -1 0 237.299 2.751 20 0 BFADRM C/C=C(/C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000786614870 644780351 /nfs/dbraw/zinc/78/03/51/644780351.db2.gz FXXAABVGHHESHS-KMKOMSMNSA-N -1 0 247.294 2.609 20 0 BFADRM C/C=C(\C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000786614871 644781343 /nfs/dbraw/zinc/78/13/43/644781343.db2.gz FXXAABVGHHESHS-XCVCLJGOSA-N -1 0 247.294 2.609 20 0 BFADRM C[C@@H]1CCCCN1C(=O)c1cccc(F)c1[O-] ZINC000929235276 646026934 /nfs/dbraw/zinc/02/69/34/646026934.db2.gz XHCWXQSJRANARW-SECBINFHSA-N -1 0 237.274 2.546 20 0 BFADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC1 ZINC000929456588 646123885 /nfs/dbraw/zinc/12/38/85/646123885.db2.gz LXRQPLNFVDUPGW-UHFFFAOYSA-N -1 0 246.093 2.545 20 0 BFADRM CCCN(C(=O)CCC(C)(C)C)[C@@H](C)C(=O)[O-] ZINC000911709601 711819445 /nfs/dbraw/zinc/81/94/45/711819445.db2.gz KZAPKMLVUYOPEW-JTQLQIEISA-N -1 0 243.347 2.524 20 0 BFADRM O=C([O-])c1sccc1-c1cnc(C2CC2)o1 ZINC000707594023 712175121 /nfs/dbraw/zinc/17/51/21/712175121.db2.gz DARCGVXFUAAWLR-UHFFFAOYSA-N -1 0 235.264 2.979 20 0 BFADRM CCC(C)(C)CCN1CC(F)(F)C[C@H]1C(=O)[O-] ZINC000713571167 712465400 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587726380 /nfs/dbraw/zinc/72/63/80/587726380.db2.gz UTYDZUDJTQIBER-UHFFFAOYSA-N -1 0 248.278 2.618 20 0 BFADRM CCC[C@H](C(=O)OC/C=C(\C)C(=O)[O-])C(C)C ZINC000833647366 587726471 /nfs/dbraw/zinc/72/64/71/587726471.db2.gz DGJSGDBEMUNYBC-HUYFXPKMSA-N -1 0 242.315 2.633 20 0 BFADRM O=C([O-])Nc1ccc(NCc2ccccn2)cc1 ZINC000834261519 587750363 /nfs/dbraw/zinc/75/03/63/587750363.db2.gz FSXUYQWMCPEUHD-UHFFFAOYSA-N -1 0 243.266 2.784 20 0 BFADRM O=C(C=C1CCC1)Nc1ccc(F)c(F)c1[O-] ZINC000837265556 587862424 /nfs/dbraw/zinc/86/24/24/587862424.db2.gz GUIJWDSYHPVFMK-UHFFFAOYSA-N -1 0 239.221 2.719 20 0 BFADRM CCCO[N-]C(=O)/C(F)=C\C1CCCCC1 ZINC000844087807 588165232 /nfs/dbraw/zinc/16/52/32/588165232.db2.gz ZWYNAQUALUHFJW-PKNBQFBNSA-N -1 0 229.295 2.878 20 0 BFADRM C[C@@H](SCc1ccc(F)c(F)c1)C(=O)[O-] ZINC000105720776 588220920 /nfs/dbraw/zinc/22/09/20/588220920.db2.gz BJKRMUKVBOCXAG-ZCFIWIBFSA-N -1 0 232.251 2.671 20 0 BFADRM CCCCNC(=O)c1cccc(Cl)c1[O-] ZINC000005513853 588227505 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ZINC000227681331 959964810 /nfs/dbraw/zinc/96/48/10/959964810.db2.gz PTVIQHJYBYFABJ-UHFFFAOYSA-N -1 0 242.278 2.700 20 0 BFADRM Cc1cc(Nc2cc[nH]c(=O)c2)ccc1C(=O)[O-] ZINC001211647777 960088611 /nfs/dbraw/zinc/08/86/11/960088611.db2.gz IDZMGCLCDRKQEE-UHFFFAOYSA-N -1 0 244.250 2.537 20 0 BFADRM Cc1coc(Nc2ccc(C(=O)[O-])c(C)c2)n1 ZINC001211647975 960088865 /nfs/dbraw/zinc/08/88/65/960088865.db2.gz NVPDQTPEEHBVCZ-UHFFFAOYSA-N -1 0 232.239 2.733 20 0 BFADRM Cc1cnc(Nc2ccc(C(=O)[O-])c(C)c2)cn1 ZINC001211648128 960097999 /nfs/dbraw/zinc/09/79/99/960097999.db2.gz SNAIGUZAVWFVJP-UHFFFAOYSA-N -1 0 243.266 2.535 20 0 BFADRM Cc1cc(Nc2ccc(=O)[nH]c2)ccc1C(=O)[O-] ZINC001211648124 960100175 /nfs/dbraw/zinc/10/01/75/960100175.db2.gz SFNLVIRRFLGIMN-UHFFFAOYSA-N -1 0 244.250 2.537 20 0 BFADRM C/C(=C/C(=O)[O-])COc1cc(F)ccc1C ZINC000230426190 960150585 /nfs/dbraw/zinc/15/05/85/960150585.db2.gz DRUXYJDTWYXIPB-YVMONPNESA-N -1 0 224.231 2.544 20 0 BFADRM C[C@@H]1CCC[C@H]1CNc1cccc(C(=O)[O-])n1 ZINC000230689359 960157021 /nfs/dbraw/zinc/15/70/21/960157021.db2.gz KWDBVRIMTNXJAQ-ZJUUUORDSA-N -1 0 234.299 2.628 20 0 BFADRM CC(C)[C@H](C)Sc1ncccc1C(=O)[O-] ZINC000232781098 960296485 /nfs/dbraw/zinc/29/64/85/960296485.db2.gz FCTNEUAABUKBOF-QMMMGPOBSA-N -1 0 225.313 2.916 20 0 BFADRM CC(C)[C@H](C)SCc1cc(C(=O)[O-])no1 ZINC000232794886 960298067 /nfs/dbraw/zinc/29/80/67/960298067.db2.gz XUGCLCFTOLCIQK-ZETCQYMHSA-N -1 0 229.301 2.651 20 0 BFADRM CCCC[C@@H](Sc1nc(C)co1)C(=O)[O-] ZINC000232993079 960308751 /nfs/dbraw/zinc/30/87/51/960308751.db2.gz UPGKOTXWLUWABP-MRVPVSSYSA-N -1 0 229.301 2.719 20 0 BFADRM CC1(CNc2nccnc2C(=O)[O-])CCCCC1 ZINC000232840670 960300775 /nfs/dbraw/zinc/30/07/75/960300775.db2.gz YIMQCYGQMUWXBB-UHFFFAOYSA-N -1 0 249.314 2.557 20 0 BFADRM CCC1(CNc2ccc(C(=O)[O-])c(C)n2)CC1 ZINC000232944111 960306273 /nfs/dbraw/zinc/30/62/73/960306273.db2.gz ALVJEEBWRRYVST-UHFFFAOYSA-N -1 0 234.299 2.690 20 0 BFADRM CC1(CNc2ccc(C(=O)[O-])cc2)CCOCC1 ZINC000233052256 960313500 /nfs/dbraw/zinc/31/35/00/960313500.db2.gz GWVFKDGHISWVSR-UHFFFAOYSA-N -1 0 249.310 2.613 20 0 BFADRM CC[C@@H](C)CN1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC000233852147 960329759 /nfs/dbraw/zinc/32/97/59/960329759.db2.gz UGFRRUUZPDQNRP-YPMHNXCESA-N -1 0 247.338 2.796 20 0 BFADRM CC[C@@H]1C[C@H]1Nc1ncc(C(=O)[O-])cc1Cl ZINC000233917993 960332221 /nfs/dbraw/zinc/33/22/21/960332221.db2.gz DVNTUJRLHANGJP-HZGVNTEJSA-N -1 0 240.690 2.644 20 0 BFADRM COC(C)(C)CCNc1ccccc1C(=O)[O-] ZINC000234574216 960355309 /nfs/dbraw/zinc/35/53/09/960355309.db2.gz OGAHOUBUHQNESK-UHFFFAOYSA-N -1 0 237.299 2.612 20 0 BFADRM Cc1nc(NC[C@@H]2CC2(C)C)ccc1C(=O)[O-] ZINC000235949550 960534917 /nfs/dbraw/zinc/53/49/17/960534917.db2.gz KHOSYRPUHPGPNT-VIFPVBQESA-N -1 0 234.299 2.546 20 0 BFADRM O=C([O-])c1cccc(CNc2ccc(F)cc2)n1 ZINC000236487907 960677634 /nfs/dbraw/zinc/67/76/34/960677634.db2.gz MUPBUOYOMVDNBE-UHFFFAOYSA-N -1 0 246.241 2.531 20 0 BFADRM C[C@H](O[C@H]1OC(=O)c2ccccc21)C1=CC=C[CH]1 ZINC001223314528 961189515 /nfs/dbraw/zinc/18/95/15/961189515.db2.gz DCOXESBBYWJANZ-BONVTDFDSA-N -1 0 241.266 2.961 20 0 BFADRM C[C@@H](O[C@@H]1OC(=O)c2ccccc21)C1=CC=C[CH]1 ZINC001223314529 961191995 /nfs/dbraw/zinc/19/19/95/961191995.db2.gz DCOXESBBYWJANZ-MEBBXXQBSA-N -1 0 241.266 2.961 20 0 BFADRM Cc1ccc(Nc2nccc(C(=O)[O-])n2)cc1C ZINC000257665255 961334026 /nfs/dbraw/zinc/33/40/26/961334026.db2.gz CPNNJQRKHWRJAR-UHFFFAOYSA-N -1 0 243.266 2.535 20 0 BFADRM Cc1ccnc(CO[C@@H](C)C2=CC=C[CH]2)c1 ZINC001223505031 961409215 /nfs/dbraw/zinc/40/92/15/961409215.db2.gz WNOJXYUNIAQQOL-LBPRGKRZSA-N -1 0 214.288 2.996 20 0 BFADRM Cc1cccc(O[C@H](C)C2=CC=C[CH]2)n1 ZINC001225276304 961985127 /nfs/dbraw/zinc/98/51/27/961985127.db2.gz NZXYWJJSMQCQLV-LLVKDONJSA-N -1 0 200.261 2.858 20 0 BFADRM CCCC[C@H](SC[C@@H]1CCCO1)C(=O)[O-] ZINC000300051511 962974958 /nfs/dbraw/zinc/97/49/58/962974958.db2.gz MCYQZEOZTUEJPX-UWVGGRQHSA-N -1 0 232.345 2.542 20 0 BFADRM [S-]c1cccc(O[C@H]2CCCOC2)c1 ZINC001226016855 962978227 /nfs/dbraw/zinc/97/82/27/962978227.db2.gz VPUARZOEIJQMKG-JTQLQIEISA-N -1 0 210.298 2.533 20 0 BFADRM CC[C@H](C)CN1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC000300247127 962994529 /nfs/dbraw/zinc/99/45/29/962994529.db2.gz UGFRRUUZPDQNRP-WCQYABFASA-N -1 0 247.338 2.796 20 0 BFADRM C[C@@H]1CSC[C@H]1Nc1cccc(C(=O)[O-])c1 ZINC000304534021 963148585 /nfs/dbraw/zinc/14/85/85/963148585.db2.gz RELCCJJCEHCZRX-LDYMZIIASA-N -1 0 237.324 2.548 20 0 BFADRM CCCCC[C@@H](CC)Oc1nccc(=O)[n-]1 ZINC001226325075 963150421 /nfs/dbraw/zinc/15/04/21/963150421.db2.gz WUTITLHXTPYCOD-SNVBAGLBSA-N -1 0 224.304 2.920 20 0 BFADRM O=c1ccnc(O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)[n-]1 ZINC001226327477 963153459 /nfs/dbraw/zinc/15/34/59/963153459.db2.gz YBXLHLUMVPGBMC-IJLUTSLNSA-N -1 0 248.326 2.920 20 0 BFADRM Cc1ccccc1SCc1oncc1C(=O)[O-] ZINC000304661484 963156761 /nfs/dbraw/zinc/15/67/61/963156761.db2.gz WCWXHNASVOENQF-UHFFFAOYSA-N -1 0 249.291 2.974 20 0 BFADRM Cc1ccc(OCc2oncc2C(=O)[O-])c(C)c1 ZINC000306102373 963186488 /nfs/dbraw/zinc/18/64/88/963186488.db2.gz QHJJVXYTIXMZFK-UHFFFAOYSA-N -1 0 247.250 2.569 20 0 BFADRM O=C([O-])CCCN1CCCCc2sccc21 ZINC000309666707 963362932 /nfs/dbraw/zinc/36/29/32/963362932.db2.gz IHFHUDNOMKYYBS-UHFFFAOYSA-N -1 0 239.340 2.756 20 0 BFADRM CCCCCOC(=O)c1ccc(C(=O)[O-])s1 ZINC000309715815 963368024 /nfs/dbraw/zinc/36/80/24/963368024.db2.gz YSXNJCGFNWCBLC-UHFFFAOYSA-N -1 0 242.296 2.793 20 0 BFADRM CC1(C)CCC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC000310965591 963448975 /nfs/dbraw/zinc/44/89/75/963448975.db2.gz BQFIQOBWDBLAJO-SECBINFHSA-N -1 0 249.314 2.556 20 0 BFADRM CC(=O)c1cccnc1O[C@@H](C)C1=CC=C[CH]1 ZINC001228288265 963728019 /nfs/dbraw/zinc/72/80/19/963728019.db2.gz QBJGYBOKGLXNBX-NSHDSACASA-N -1 0 228.271 2.752 20 0 BFADRM CCCC[C@H](C)Oc1nc(=O)[n-]cc1Cl ZINC001228479678 963822795 /nfs/dbraw/zinc/82/27/95/963822795.db2.gz FPWJQBXSKDYKTA-ZETCQYMHSA-N -1 0 230.695 2.793 20 0 BFADRM C[C@@H](Oc1ccc(F)nc1F)C1=CC=C[CH]1 ZINC001228535468 963849667 /nfs/dbraw/zinc/84/96/67/963849667.db2.gz YMFUDNWRLGAGCA-MRVPVSSYSA-N -1 0 222.214 2.828 20 0 BFADRM O=C([O-])c1cc(Cl)cc(Nc2cnccn2)c1 ZINC001211958453 964109352 /nfs/dbraw/zinc/10/93/52/964109352.db2.gz RIOJVWBQEGBWKY-UHFFFAOYSA-N -1 0 249.657 2.572 20 0 BFADRM CC(C)NC(=S)Nc1cccc(Cl)c1[O-] ZINC000168447321 964109907 /nfs/dbraw/zinc/10/99/07/964109907.db2.gz JDGPIXIALVCBRJ-UHFFFAOYSA-N -1 0 244.747 2.740 20 0 BFADRM Nc1ccc(F)cc1Nc1ccccc1C(=O)[O-] ZINC001159591689 964129698 /nfs/dbraw/zinc/12/96/98/964129698.db2.gz SHSIIZFDPHJEAB-UHFFFAOYSA-N -1 0 246.241 2.850 20 0 BFADRM CCc1nnc([N-]c2cnc(C)s2)s1 ZINC001212123924 964697202 /nfs/dbraw/zinc/69/72/02/964697202.db2.gz CSIJCCUCYQBNNJ-UHFFFAOYSA-N -1 0 226.330 2.609 20 0 BFADRM Cc1ncc([N-]c2nnc(-c3ccco3)o2)s1 ZINC001212125687 964791079 /nfs/dbraw/zinc/79/10/79/964791079.db2.gz IFIJEXFFYFZDRH-UHFFFAOYSA-N -1 0 248.267 2.838 20 0 BFADRM Cc1cc(NC(C)(C)C2CC2)cnc1C(=O)[O-] ZINC001162522077 965020092 /nfs/dbraw/zinc/02/00/92/965020092.db2.gz GYOBUJSJPHQUMC-UHFFFAOYSA-N -1 0 234.299 2.689 20 0 BFADRM C[C@H](OCC(=O)[O-])c1ccccc1C(F)(F)F ZINC001225022932 965208413 /nfs/dbraw/zinc/20/84/13/965208413.db2.gz WGMXBHLKPQRFFM-ZETCQYMHSA-N -1 0 248.200 2.868 20 0 BFADRM CCCOc1cc[n-]c(=NOC[C@@H](C)CC)n1 ZINC001163397621 965395917 /nfs/dbraw/zinc/39/59/17/965395917.db2.gz OBDQTGFPJXRVGJ-JTQLQIEISA-N -1 0 239.319 2.655 20 0 BFADRM Cc1ccc(N(C)CC2(CC(=O)[O-])CC2)cc1 ZINC000088256037 965452384 /nfs/dbraw/zinc/45/23/84/965452384.db2.gz GNKUFZLKDYDLBN-UHFFFAOYSA-N -1 0 233.311 2.686 20 0 BFADRM Cc1ncccc1-c1cc(F)cc(C(=O)[O-])c1 ZINC000715217697 965954215 /nfs/dbraw/zinc/95/42/15/965954215.db2.gz BWDBJBLNUFGGFD-UHFFFAOYSA-N -1 0 231.226 2.894 20 0 BFADRM c1nnc([N-]c2coc3ccccc23)o1 ZINC001203146460 966531169 /nfs/dbraw/zinc/53/11/69/966531169.db2.gz DQCGBJQTEIUITH-UHFFFAOYSA-N -1 0 201.185 2.559 20 0 BFADRM Cc1nnc([N-]c2c3cc[nH]c3ccc2F)o1 ZINC001204260179 966952468 /nfs/dbraw/zinc/95/24/68/966952468.db2.gz PUGFTQVQUQEONU-UHFFFAOYSA-N -1 0 232.218 2.742 20 0 BFADRM Nc1ncccc1Nc1ccccc1[S-] ZINC001212399395 967041939 /nfs/dbraw/zinc/04/19/39/967041939.db2.gz BHOBAVREHWWQQV-UHFFFAOYSA-N -1 0 217.297 2.696 20 0 BFADRM Nc1ncc(Nc2ccccc2[S-])cc1F ZINC001249762072 967049686 /nfs/dbraw/zinc/04/96/86/967049686.db2.gz HQOLOKXTMOGAHT-UHFFFAOYSA-N -1 0 235.287 2.835 20 0 BFADRM Cc1ccccc1Cc1cnc(F)c(C(=O)[O-])c1 ZINC001249872083 967114849 /nfs/dbraw/zinc/11/48/49/967114849.db2.gz ZSINKCGCVATQCZ-UHFFFAOYSA-N -1 0 245.253 2.818 20 0 BFADRM Cc1nonc1[N-]c1cccc2ccoc21 ZINC001249911071 967146919 /nfs/dbraw/zinc/14/69/19/967146919.db2.gz BVFLYRQRSGCNHF-UHFFFAOYSA-N -1 0 215.212 2.868 20 0 BFADRM CCC(=O)Cc1cc(C(=O)[O-])c(Cl)cc1F ZINC001249923537 967168648 /nfs/dbraw/zinc/16/86/48/967168648.db2.gz UHVVGOMFHAWSMT-UHFFFAOYSA-N -1 0 244.649 2.699 20 0 BFADRM O=C([O-])c1cnc(F)c(CCc2ccccc2)c1 ZINC001249946990 967189309 /nfs/dbraw/zinc/18/93/09/967189309.db2.gz MZSJGTCGZXXJNH-UHFFFAOYSA-N -1 0 245.253 2.704 20 0 BFADRM O=C([O-])c1cc(Cc2ccccc2F)cnc1F ZINC001249985432 967229115 /nfs/dbraw/zinc/22/91/15/967229115.db2.gz ODPGQPDFUPUACS-UHFFFAOYSA-N -1 0 249.216 2.649 20 0 BFADRM CC(C)c1nnc([N-]c2c(O)cccc2F)o1 ZINC001249989146 967235748 /nfs/dbraw/zinc/23/57/48/967235748.db2.gz MTVZSYCWXJWUSM-UHFFFAOYSA-N -1 0 237.234 2.781 20 0 BFADRM O=C([O-])c1cc(CC(F)(F)F)cc(F)c1F ZINC001250032030 967286310 /nfs/dbraw/zinc/28/63/10/967286310.db2.gz BOUUNVIGAMPOTI-UHFFFAOYSA-N -1 0 240.127 2.768 20 0 BFADRM O=C([O-])/C=C/c1cccc(CC2CC2)c1 ZINC001250036121 967289419 /nfs/dbraw/zinc/28/94/19/967289419.db2.gz JCBGUCGIPFEZCI-VOTSOKGWSA-N -1 0 202.253 2.737 20 0 BFADRM O=C([O-])c1cc(F)c(CC2CC2)c(F)c1 ZINC001250037329 967291124 /nfs/dbraw/zinc/29/11/24/967291124.db2.gz FNTZJLMSCZYFFB-UHFFFAOYSA-N -1 0 212.195 2.616 20 0 BFADRM Cc1noc(C)c1Cc1cccc(C(=O)[O-])c1F ZINC001250068020 967334388 /nfs/dbraw/zinc/33/43/88/967334388.db2.gz IWMZHTAALNGYPA-UHFFFAOYSA-N -1 0 249.241 2.720 20 0 BFADRM O=C([O-])c1ccc(Cc2cccc(F)c2F)cn1 ZINC001250151462 967442344 /nfs/dbraw/zinc/44/23/44/967442344.db2.gz ZYXFSBDRJUWLFP-UHFFFAOYSA-N -1 0 249.216 2.649 20 0 BFADRM O=C([O-])c1cc(Cc2cccnc2)cc(F)c1F ZINC001250172010 967473878 /nfs/dbraw/zinc/47/38/78/967473878.db2.gz ISYGGTGLPHUXQE-UHFFFAOYSA-N -1 0 249.216 2.649 20 0 BFADRM O=C([O-])CCSCc1ccc2ncccc2c1 ZINC000020247916 967498530 /nfs/dbraw/zinc/49/85/30/967498530.db2.gz YFOASHCTNFKXIF-UHFFFAOYSA-N -1 0 247.319 2.943 20 0 BFADRM O=C([O-])CCSCCCOc1ccccc1 ZINC000037418096 967510728 /nfs/dbraw/zinc/51/07/28/967510728.db2.gz SWCMUCXIEXROCE-UHFFFAOYSA-N -1 0 240.324 2.663 20 0 BFADRM CC[C@H](Sc1ccccc1C)C(=O)[O-] ZINC000037665518 967512227 /nfs/dbraw/zinc/51/22/27/967512227.db2.gz XNCUZQNUQYEDFR-VIFPVBQESA-N -1 0 210.298 2.950 20 0 BFADRM Cc1ncccc1[N-]c1nnc(-c2ccco2)o1 ZINC001205338892 967556359 /nfs/dbraw/zinc/55/63/59/967556359.db2.gz YCWKZNHVLLDJJG-UHFFFAOYSA-N -1 0 242.238 2.777 20 0 BFADRM CCc1ccc(N[C@H](CC)C(=O)[O-])cc1 ZINC000082757767 967566202 /nfs/dbraw/zinc/56/62/02/967566202.db2.gz QQYYRLRHTYBDSR-LLVKDONJSA-N -1 0 207.273 2.524 20 0 BFADRM O=C([O-])c1ccc(CCCCF)s1 ZINC001250260624 967567081 /nfs/dbraw/zinc/56/70/81/967567081.db2.gz ZXDWRKHGIZOJKH-UHFFFAOYSA-N -1 0 202.250 2.739 20 0 BFADRM Cc1ccc(CCCCF)cc1C(=O)[O-] ZINC001250263979 967573015 /nfs/dbraw/zinc/57/30/15/967573015.db2.gz IDXJCLZXRMCUCS-UHFFFAOYSA-N -1 0 210.248 2.985 20 0 BFADRM COc1ccnc(-c2ccsc2C(=O)[O-])c1 ZINC001205371474 967602270 /nfs/dbraw/zinc/60/22/70/967602270.db2.gz QHBLZYGPGVXBJY-UHFFFAOYSA-N -1 0 235.264 2.517 20 0 BFADRM CC[C@@H](C)c1nnc(-c2cccc(C(=O)[O-])c2)o1 ZINC000109606699 967609036 /nfs/dbraw/zinc/60/90/36/967609036.db2.gz SQZJGSNWUKJWSZ-MRVPVSSYSA-N -1 0 246.266 2.948 20 0 BFADRM CCCc1cnc(-c2ccsc2C(=O)[O-])nc1 ZINC001205378780 967611309 /nfs/dbraw/zinc/61/13/09/967611309.db2.gz UFFNRJCKKJLMCQ-UHFFFAOYSA-N -1 0 248.307 2.856 20 0 BFADRM CC[C@H](SCCCCCF)C(=O)[O-] ZINC000118137425 967613469 /nfs/dbraw/zinc/61/34/69/967613469.db2.gz SUWURJQOZDIVHZ-QMMMGPOBSA-N -1 0 208.298 2.723 20 0 BFADRM Cc1noc(C)c1C=C([O-])c1cccs1 ZINC001250304638 967652170 /nfs/dbraw/zinc/65/21/70/967652170.db2.gz LNBJFMKPTQINHN-UHFFFAOYSA-N -1 0 221.281 2.778 20 0 BFADRM Fc1ccc([S-])c(NCC(F)F)c1 ZINC001161817377 967656122 /nfs/dbraw/zinc/65/61/22/967656122.db2.gz MIGZXFLWBPGIQW-UHFFFAOYSA-N -1 0 207.220 2.791 20 0 BFADRM O=C([O-])c1cc(Cc2ccncc2)cc(F)c1F ZINC001250314693 967671461 /nfs/dbraw/zinc/67/14/61/967671461.db2.gz XMXOWMWLFXVNLR-UHFFFAOYSA-N -1 0 249.216 2.649 20 0 BFADRM CN(C)c1ccc(-c2ccsc2C(=O)[O-])nc1 ZINC001205542707 967679756 /nfs/dbraw/zinc/67/97/56/967679756.db2.gz SCARQDYQDXFGDA-UHFFFAOYSA-N -1 0 248.307 2.574 20 0 BFADRM Cc1nc(F)ccc1-c1ccsc1C(=O)[O-] ZINC001205565237 967698613 /nfs/dbraw/zinc/69/86/13/967698613.db2.gz LEFNSESDFMNKNV-UHFFFAOYSA-N -1 0 237.255 2.956 20 0 BFADRM COc1cc(-c2ccsc2C(=O)[O-])cnc1C ZINC001205572266 967702332 /nfs/dbraw/zinc/70/23/32/967702332.db2.gz HLUNOKGCWGVYCZ-UHFFFAOYSA-N -1 0 249.291 2.825 20 0 BFADRM O=C([O-])c1sccc1-c1ccc(F)nc1F ZINC001205579543 967706572 /nfs/dbraw/zinc/70/65/72/967706572.db2.gz OKCQQFXVNRNMRX-UHFFFAOYSA-N -1 0 241.218 2.787 20 0 BFADRM COC(C)(C)Cc1c(F)cc(F)c(O)c1F ZINC001250353050 967750259 /nfs/dbraw/zinc/75/02/59/967750259.db2.gz ZRXCANFBOHMEQJ-UHFFFAOYSA-N -1 0 234.217 2.777 20 0 BFADRM O=C([O-])c1ccc(CO[C@H]2C[C@H]3C=C[C@@H]2C3)cc1 ZINC001205680673 967767166 /nfs/dbraw/zinc/76/71/66/967767166.db2.gz IPTUIZQKJQDQJH-YUTCNCBUSA-N -1 0 244.290 2.866 20 0 BFADRM O=C([O-])c1cccc(CSc2ncco2)c1 ZINC000236491075 967779267 /nfs/dbraw/zinc/77/92/67/967779267.db2.gz APHQBDSNNJOKFA-UHFFFAOYSA-N -1 0 235.264 2.665 20 0 BFADRM Cc1ccc(CC2CCOCC2)cc1C(=O)[O-] ZINC001250395185 967810076 /nfs/dbraw/zinc/81/00/76/967810076.db2.gz DPCHAHNMTIXRBM-UHFFFAOYSA-N -1 0 234.295 2.662 20 0 BFADRM O=C([O-])c1ccc(CC(F)F)c(Cl)c1 ZINC001250393563 967810535 /nfs/dbraw/zinc/81/05/35/967810535.db2.gz DTFXNDUTBDGUHJ-UHFFFAOYSA-N -1 0 220.602 2.846 20 0 BFADRM Cc1ccc(CCOC(C)C)cc1C(=O)[O-] ZINC001250411407 967819042 /nfs/dbraw/zinc/81/90/42/967819042.db2.gz RWYGNQUUHIMPMP-UHFFFAOYSA-N -1 0 222.284 2.661 20 0 BFADRM Oc1cccc([N-]c2nonc2C2CC2)c1F ZINC001212548554 967866409 /nfs/dbraw/zinc/86/64/09/967866409.db2.gz SNRVMIKZEYBDCV-UHFFFAOYSA-N -1 0 235.218 2.535 20 0 BFADRM Cc1ccnc(-c2c(F)ccc(C)c2[O-])n1 ZINC001250455382 967880343 /nfs/dbraw/zinc/88/03/43/967880343.db2.gz IZSBTTMNRANBLV-UHFFFAOYSA-N -1 0 218.231 2.605 20 0 BFADRM Cc1ccnc(-c2cccc(CC(=O)[O-])c2)c1 ZINC001250456085 967880987 /nfs/dbraw/zinc/88/09/87/967880987.db2.gz UITMWKWXJPBBQW-UHFFFAOYSA-N -1 0 227.263 2.684 20 0 BFADRM COc1ccc(C(=O)[O-])cc1-c1cc(C)ccn1 ZINC001250457124 967881794 /nfs/dbraw/zinc/88/17/94/967881794.db2.gz GDKWNMRRXIDCSH-UHFFFAOYSA-N -1 0 243.262 2.764 20 0 BFADRM Cc1cccnc1-c1cc(CC(=O)[O-])ccc1F ZINC001250473124 967897970 /nfs/dbraw/zinc/89/79/70/967897970.db2.gz MVGUQQJVIYVPEG-UHFFFAOYSA-N -1 0 245.253 2.823 20 0 BFADRM O=C([O-])c1ccccc1OCCCCF ZINC000308804229 967931264 /nfs/dbraw/zinc/93/12/64/967931264.db2.gz LYFDCYCFAJMQPB-UHFFFAOYSA-N -1 0 212.220 2.513 20 0 BFADRM [O-]c1c(F)cc(-c2cccnc2F)cc1F ZINC001250486841 967939098 /nfs/dbraw/zinc/93/90/98/967939098.db2.gz UCCOSHPRZCKDNM-UHFFFAOYSA-N -1 0 225.169 2.872 20 0 BFADRM [O-]c1c(Cl)ccc(-c2ccncn2)c1F ZINC001250491506 967958746 /nfs/dbraw/zinc/95/87/46/967958746.db2.gz FOJJMSIBEQQMAX-UHFFFAOYSA-N -1 0 224.622 2.642 20 0 BFADRM Cc1cnc(-c2cccc(Cl)c2[O-])nc1 ZINC001250497620 967985460 /nfs/dbraw/zinc/98/54/60/967985460.db2.gz IZIMBHXNAOPIEX-UHFFFAOYSA-N -1 0 220.659 2.811 20 0 BFADRM Cc1nc2c(-c3ccc(O)cc3F)cccn2n1 ZINC001206051635 968021335 /nfs/dbraw/zinc/02/13/35/968021335.db2.gz NCQLAWDCGNGKNV-UHFFFAOYSA-N -1 0 243.241 2.549 20 0 BFADRM Cc1cccc(-c2ccc(CC(=O)[O-])cc2)n1 ZINC001250600863 968141014 /nfs/dbraw/zinc/14/10/14/968141014.db2.gz NIOQSWWKKUKIGZ-UHFFFAOYSA-N -1 0 227.263 2.684 20 0 BFADRM Cc1cnc(-c2csc(C(=O)[O-])c2)c(F)c1 ZINC001206243450 968165156 /nfs/dbraw/zinc/16/51/56/968165156.db2.gz JIIPAZACXKXDKW-UHFFFAOYSA-N -1 0 237.255 2.956 20 0 BFADRM COc1ccncc1-c1csc(C(=O)[O-])c1 ZINC001206272971 968189928 /nfs/dbraw/zinc/18/99/28/968189928.db2.gz VKSLCDHKCRTVKJ-UHFFFAOYSA-N -1 0 235.264 2.517 20 0 BFADRM COc1cc(-c2csc(C(=O)[O-])c2)ccn1 ZINC001250651223 968190970 /nfs/dbraw/zinc/19/09/70/968190970.db2.gz PVTHKUWUTVGFAK-UHFFFAOYSA-N -1 0 235.264 2.517 20 0 BFADRM COc1nccc(-c2csc(C(=O)[O-])c2)c1C ZINC001206283982 968193339 /nfs/dbraw/zinc/19/33/39/968193339.db2.gz QGDPQSTYQUHNIW-UHFFFAOYSA-N -1 0 249.291 2.825 20 0 BFADRM O=C([O-])c1cc(-c2cnc3ocnc3c2)cs1 ZINC001206279353 968194365 /nfs/dbraw/zinc/19/43/65/968194365.db2.gz SELCTDWADFHENY-UHFFFAOYSA-N -1 0 246.247 2.650 20 0 BFADRM O=C([O-])c1cc(-c2ccnc(F)c2F)cs1 ZINC001206291333 968197761 /nfs/dbraw/zinc/19/77/61/968197761.db2.gz MIDCDEJJFLLWMF-UHFFFAOYSA-N -1 0 241.218 2.787 20 0 BFADRM COc1ccc(-c2csc(C(=O)[O-])c2)c(N)c1 ZINC001206298422 968207193 /nfs/dbraw/zinc/20/71/93/968207193.db2.gz DXFGNAUVYCDOSS-UHFFFAOYSA-N -1 0 249.291 2.704 20 0 BFADRM O=C([O-])c1ccc(-c2nc3c(cccc3F)[nH]2)o1 ZINC001250922063 968216918 /nfs/dbraw/zinc/21/69/18/968216918.db2.gz AHGKXXAXVCMGLA-UHFFFAOYSA-N -1 0 246.197 2.660 20 0 BFADRM Nc1ccccc1Nc1ccc(F)c(F)c1O ZINC001206369051 968259538 /nfs/dbraw/zinc/25/95/38/968259538.db2.gz UJYVLEQUJBLJMS-UHFFFAOYSA-N -1 0 236.221 2.996 20 0 BFADRM [O-]c1cc(F)c(-c2ccc(F)cn2)cc1F ZINC001206754917 968458156 /nfs/dbraw/zinc/45/81/56/968458156.db2.gz AWPDMNSHIQKVJL-UHFFFAOYSA-N -1 0 225.169 2.872 20 0 BFADRM Cc1ncc(Nc2ccc(C(=O)[O-])cc2)nc1C ZINC000164521631 968520256 /nfs/dbraw/zinc/52/02/56/968520256.db2.gz RMHPFEJTHUSMIV-UHFFFAOYSA-N -1 0 243.266 2.535 20 0 BFADRM CCCC[C@H](O)CNc1ccccc1[S-] ZINC001252100308 968581884 /nfs/dbraw/zinc/58/18/84/968581884.db2.gz RWSQTDNTDLCXGG-JTQLQIEISA-N -1 0 225.357 2.938 20 0 BFADRM CCn1cc(-c2cccc([S-])c2)cn1 ZINC001240648703 968620125 /nfs/dbraw/zinc/62/01/25/968620125.db2.gz CBEWDCCIAJDTKH-UHFFFAOYSA-N -1 0 204.298 2.859 20 0 BFADRM Cc1ncc(F)cc1-c1ccc(C(=O)[O-])s1 ZINC001240847630 968766725 /nfs/dbraw/zinc/76/67/25/968766725.db2.gz LVCWTLDAGBLUGR-UHFFFAOYSA-N -1 0 237.255 2.956 20 0 BFADRM Cc1cnc(C)c(Nc2ccc(C(=O)[O-])cc2)n1 ZINC000088057531 968872140 /nfs/dbraw/zinc/87/21/40/968872140.db2.gz RKYNIMAMJXBWLJ-UHFFFAOYSA-N -1 0 243.266 2.535 20 0 BFADRM Cc1cc(-c2ccc(F)cc2[O-])nnc1C ZINC001242216425 969263234 /nfs/dbraw/zinc/26/32/34/969263234.db2.gz TUZGANSLGPHNIL-UHFFFAOYSA-N -1 0 218.231 2.605 20 0 BFADRM CC(C)(C)[C@@H](O)CNc1ccc([S-])cc1 ZINC001253732747 969356049 /nfs/dbraw/zinc/35/60/49/969356049.db2.gz FBEBFMKTDKIOIP-NSHDSACASA-N -1 0 225.357 2.794 20 0 BFADRM [S-]c1ccccc1-c1nnc(C2CC2)o1 ZINC001254049243 969459638 /nfs/dbraw/zinc/45/96/38/969459638.db2.gz VJMUDFPWXIBUCW-UHFFFAOYSA-N -1 0 218.281 2.903 20 0 BFADRM O=c1cc(CNc2cccc(C(F)F)c2)o[n-]1 ZINC001169485611 969656073 /nfs/dbraw/zinc/65/60/73/969656073.db2.gz QYXZPBPZZCGXHX-UHFFFAOYSA-N -1 0 240.209 2.930 20 0 BFADRM Cc1ccc(C)c(NCc2cc(=O)[n-]o2)c1 ZINC001169485630 969656197 /nfs/dbraw/zinc/65/61/97/969656197.db2.gz RTDJNSUJFVNRCR-UHFFFAOYSA-N -1 0 218.256 2.609 20 0 BFADRM O=C([O-])c1cc(F)cc(Nc2cnsc2)c1 ZINC001209888038 969683255 /nfs/dbraw/zinc/68/32/55/969683255.db2.gz MCIGQRQYFRXCRT-UHFFFAOYSA-N -1 0 238.243 2.724 20 0 BFADRM CC(C)Oc1ccccc1[N-]c1nnco1 ZINC001210020552 969762307 /nfs/dbraw/zinc/76/23/07/969762307.db2.gz IZNOMTJARUYXQP-UHFFFAOYSA-N -1 0 219.244 2.600 20 0 BFADRM Cc1cc(C)nc(Nc2ccc(C(=O)[O-])nc2)c1 ZINC001210170312 969819091 /nfs/dbraw/zinc/81/90/91/969819091.db2.gz VHAUPULNRWHROM-UHFFFAOYSA-N -1 0 243.266 2.535 20 0 BFADRM Cc1conc1Nc1cccc(C(=O)[O-])c1F ZINC001210239746 969840797 /nfs/dbraw/zinc/84/07/97/969840797.db2.gz VVOFWLBJISWSFR-UHFFFAOYSA-N -1 0 236.202 2.564 20 0 BFADRM CC(C)n1cc([N-]c2nnc(C(C)(C)C)o2)cn1 ZINC001210318287 969863379 /nfs/dbraw/zinc/86/33/79/969863379.db2.gz SHECJFBHBWGVHY-UHFFFAOYSA-N -1 0 249.318 2.888 20 0 BFADRM CC(C)n1ccc([N-]c2noc(C(C)(C)C)n2)n1 ZINC001210336475 969870588 /nfs/dbraw/zinc/87/05/88/969870588.db2.gz QILJFMJSXRRKCX-UHFFFAOYSA-N -1 0 249.318 2.888 20 0 BFADRM Cc1cn2cc(-c3cccc(F)c3[O-])ncc2n1 ZINC001242350961 969898842 /nfs/dbraw/zinc/89/88/42/969898842.db2.gz BEBNYXJFQNIYIE-UHFFFAOYSA-N -1 0 243.241 2.549 20 0 BFADRM CCc1nnc(Cc2ccc([S-])cc2)o1 ZINC001255096193 969930904 /nfs/dbraw/zinc/93/09/04/969930904.db2.gz HAVIYOXSLFYTKR-UHFFFAOYSA-N -1 0 220.297 2.512 20 0 BFADRM [O-]c1c(F)cccc1-c1nnc(C2CCC2)o1 ZINC001255246726 970015327 /nfs/dbraw/zinc/01/53/27/970015327.db2.gz RGJIBEBGPSUFNQ-UHFFFAOYSA-N -1 0 234.230 2.849 20 0 BFADRM [O-]c1cccc(F)c1-c1nnc(C2CCC2)o1 ZINC001255246831 970016996 /nfs/dbraw/zinc/01/69/96/970016996.db2.gz VHGGWCWCDIIQIM-UHFFFAOYSA-N -1 0 234.230 2.849 20 0 BFADRM CCC(C)=Nc1nc(Br)ccc1[O-] ZINC001210791716 970031257 /nfs/dbraw/zinc/03/12/57/970031257.db2.gz CKHJWFSZIVMUIJ-ZZXKWVIFSA-N -1 0 243.104 2.885 20 0 BFADRM [S-]c1cccc(Nc2cc[nH+]cc2)c1 ZINC001210946040 970070901 /nfs/dbraw/zinc/07/09/01/970070901.db2.gz HGBOVLFPHQPCCF-UHFFFAOYSA-N -1 0 202.282 2.536 20 0 BFADRM Nc1cn(-c2cccc([S-])c2)c2ncccc12 ZINC001210945543 970079088 /nfs/dbraw/zinc/07/90/88/970079088.db2.gz NTVKODKMZLNOJT-UHFFFAOYSA-N -1 0 241.319 2.896 20 0 BFADRM COc1cncc(Nc2cccc([S-])c2)n1 ZINC001210945534 970079110 /nfs/dbraw/zinc/07/91/10/970079110.db2.gz NHTHRXMEAKPXQW-UHFFFAOYSA-N -1 0 233.296 2.518 20 0 BFADRM Cc1nsc(Nc2cccc([S-])c2)n1 ZINC001210946733 970083768 /nfs/dbraw/zinc/08/37/68/970083768.db2.gz WOHHSXPMDGFGAE-UHFFFAOYSA-N -1 0 223.326 2.879 20 0 BFADRM FCCn1cnc(Nc2cccc([S-])c2)c1 ZINC001210946882 970086074 /nfs/dbraw/zinc/08/60/74/970086074.db2.gz YXFSEWMWCWTXLE-UHFFFAOYSA-N -1 0 237.303 2.885 20 0 BFADRM Cc1ccnc(Nc2ccccc2C(=O)[O-])c1 ZINC001210963348 970087580 /nfs/dbraw/zinc/08/75/80/970087580.db2.gz HWDNZYCFMZDQDG-UHFFFAOYSA-N -1 0 228.251 2.832 20 0 BFADRM FC(F)(F)c1cc([N-]c2nccs2)on1 ZINC001210989449 970103290 /nfs/dbraw/zinc/10/32/90/970103290.db2.gz HNIHXYPWFCCGQM-UHFFFAOYSA-N -1 0 235.190 2.894 20 0 BFADRM 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Cc1ccncc1-n1[n-]c(CC2CCC2)cc1=O ZINC001245937919 987207072 /nfs/dbraw/zinc/20/70/72/987207072.db2.gz QHLYTIBQKKVEDY-UHFFFAOYSA-N -1 0 243.310 2.624 20 0 BFADRM CC(C)n1[n-]c(-c2ccc(Cl)nc2)cc1=O ZINC001245945208 987216173 /nfs/dbraw/zinc/21/61/73/987216173.db2.gz BYUXEVXFZPSLOL-UHFFFAOYSA-N -1 0 237.690 2.885 20 0 BFADRM CC(C)n1[n-]c(-c2ccc(O)cc2)cc1=O ZINC001245941780 987218117 /nfs/dbraw/zinc/21/81/17/987218117.db2.gz OSWNOHZJKGKBQP-UHFFFAOYSA-N -1 0 218.256 2.542 20 0 BFADRM O=c1cc(-c2nccs2)[n-]n1CC1CCCC1 ZINC001245947855 987226537 /nfs/dbraw/zinc/22/65/37/987226537.db2.gz BCGNYKYLOIKAGW-UHFFFAOYSA-N -1 0 249.339 2.902 20 0 BFADRM Nc1ccccc1-c1cc(=O)n(C2CCCC2)[n-]1 ZINC001245946444 987227262 /nfs/dbraw/zinc/22/72/62/987227262.db2.gz YTNOOYUWOHXBNU-UHFFFAOYSA-N -1 0 243.310 2.953 20 0 BFADRM CC[C@@H](C)n1[n-]c(-c2ccc(C)nc2)cc1=O ZINC001245950097 987227985 /nfs/dbraw/zinc/22/79/85/987227985.db2.gz VXFREKPWOJTMAS-SNVBAGLBSA-N -1 0 231.299 2.930 20 0 BFADRM COc1ccc(O)c(-c2nnc([C@@H]3C[C@@H]3C)o2)c1 ZINC001256616041 987245207 /nfs/dbraw/zinc/24/52/07/987245207.db2.gz DEWLEQUMAQHKLB-IONNQARKSA-N -1 0 246.266 2.574 20 0 BFADRM CCSCCNc1ccc(F)c(C(=O)[O-])c1 ZINC001597261037 987283430 /nfs/dbraw/zinc/28/34/30/987283430.db2.gz GWKXQIHWLHHHLQ-UHFFFAOYSA-N -1 0 243.303 2.689 20 0 BFADRM CC(C)(C)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC001589696952 987779022 /nfs/dbraw/zinc/77/90/22/987779022.db2.gz UZCURIWMICFLOP-UHFFFAOYSA-N -1 0 242.296 2.536 20 0 BFADRM C[C@@H]1CC[C@H]1NC(=O)c1cccc(Cl)c1[O-] ZINC001117459698 987837719 /nfs/dbraw/zinc/83/77/19/987837719.db2.gz FICSVVZXVXWZKL-GMSGAONNSA-N -1 0 239.702 2.574 20 0 BFADRM C/C=C(/CC)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001594676577 987856262 /nfs/dbraw/zinc/85/62/62/987856262.db2.gz PFQBBYOPWSPTTD-WMZJFQQLSA-N -1 0 247.294 2.988 20 0 BFADRM CC/C(C)=C\C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001594865556 987867145 /nfs/dbraw/zinc/86/71/45/987867145.db2.gz WFOABZDPINYCCK-NTMALXAHSA-N -1 0 248.278 2.784 20 0 BFADRM CCc1cc(C(=O)[O-])nn1C(CC)CC ZINC001597465405 987904690 /nfs/dbraw/zinc/90/46/90/987904690.db2.gz FUIMWMLAYKHHGX-UHFFFAOYSA-N -1 0 210.277 2.505 20 0 BFADRM Cc1ccc(CC(=O)NOC(C)C)c(Cl)c1 ZINC001117796229 987920330 /nfs/dbraw/zinc/92/03/30/987920330.db2.gz DYWAIAKHPBPPRT-UHFFFAOYSA-N -1 0 241.718 2.647 20 0 BFADRM CCc1ccc(C(=O)[O-])c(OC(=O)[C@H]2C[C@@H]2C)c1 ZINC001597507134 988079999 /nfs/dbraw/zinc/07/99/99/988079999.db2.gz RSWZYRLIRDTPOU-KWQFWETISA-N -1 0 248.278 2.509 20 0 BFADRM CCc1ccc(N[C@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC001597551456 988274933 /nfs/dbraw/zinc/27/49/33/988274933.db2.gz HJRQYBQAKFZIDE-AAEUAGOBSA-N -1 0 233.311 2.914 20 0 BFADRM CC[C@H](C)CO[N-]C(=O)C1(C(C)(F)F)CC1 ZINC001118707245 988509994 /nfs/dbraw/zinc/50/99/94/988509994.db2.gz BUUUHTXIGBONLS-QMMMGPOBSA-N -1 0 235.274 2.516 20 0 BFADRM CC[C@H](OC(=O)CC1CCCC1)[C@@H](C)C(=O)[O-] ZINC001595337893 988551382 /nfs/dbraw/zinc/55/13/82/988551382.db2.gz RHLUXSPUKQNCII-KOLCDFICSA-N -1 0 242.315 2.609 20 0 BFADRM CCC[C@@H](C)C(=O)OC1CCC(C(=O)[O-])CC1 ZINC001595572817 988602564 /nfs/dbraw/zinc/60/25/64/988602564.db2.gz PJUKHLZNRBKABY-KPPDAEKUSA-N -1 0 242.315 2.609 20 0 BFADRM CCCCC[C@@H](OC(=O)CC1(C)CC1)C(=O)[O-] ZINC001595689915 988651831 /nfs/dbraw/zinc/65/18/31/988651831.db2.gz GCNIIVFRTYXUIU-SNVBAGLBSA-N -1 0 242.315 2.753 20 0 BFADRM C[C@@H](CC(=O)[O-])OC(=O)C1=CCC(C)(C)CC1 ZINC001599833610 988710703 /nfs/dbraw/zinc/71/07/03/988710703.db2.gz SCPLCCDAADMLPX-VIFPVBQESA-N -1 0 240.299 2.529 20 0 BFADRM C[C@@H](CC(=O)[O-])OC(=O)CCCCC(C)(C)C ZINC001599833679 988711563 /nfs/dbraw/zinc/71/15/63/988711563.db2.gz SYMIMSUXDURKAD-JTQLQIEISA-N -1 0 244.331 2.999 20 0 BFADRM S=c1[n-]c2ccc(-c3ncon3)cc2s1 ZINC001247394772 988874504 /nfs/dbraw/zinc/87/45/04/988874504.db2.gz QQJJFKMQJGGPOR-UHFFFAOYSA-N -1 0 235.293 2.635 20 0 BFADRM CC(C)=C[C@@H]1[C@@H](C(=O)NOC(C)C)C1(C)C ZINC001324673477 988925812 /nfs/dbraw/zinc/92/58/12/988925812.db2.gz RNAPHTZQXZQYAO-MNOVXSKESA-N -1 0 225.332 2.681 20 0 BFADRM CCc1oc(CNc2ccccn2)cc1C(=O)[O-] ZINC001597805216 989411811 /nfs/dbraw/zinc/41/18/11/989411811.db2.gz YBQKHQFCXJVMEW-UHFFFAOYSA-N -1 0 246.266 2.547 20 0 BFADRM C[C@H](C(=O)[O-])N(C)C(=O)CCCCC(C)(C)C ZINC001599885247 989544500 /nfs/dbraw/zinc/54/45/00/989544500.db2.gz NZHSXRINYSQIKK-SNVBAGLBSA-N -1 0 243.347 2.524 20 0 BFADRM C[C@H]1CC[C@@H]1NC(=O)c1c(O)cccc1Cl ZINC001326482246 989578594 /nfs/dbraw/zinc/57/85/94/989578594.db2.gz ZCKFJBMNYLFOQR-CBAPKCEASA-N -1 0 239.702 2.574 20 0 BFADRM CC[C@@H](F)C(=O)Nc1cccc(Cl)c1[O-] ZINC001120626616 989800181 /nfs/dbraw/zinc/80/01/81/989800181.db2.gz NVODTOILYYQGNA-SSDOTTSWSA-N -1 0 231.654 2.732 20 0 BFADRM CC(C)(CC(=O)[O-])C(=O)OCCCC1CCC1 ZINC001590624911 990306042 /nfs/dbraw/zinc/30/60/42/990306042.db2.gz DCVKBMUTKQHHNY-UHFFFAOYSA-N -1 0 242.315 2.611 20 0 BFADRM CC/C=C/CCSc1nc(C(=O)[O-])c[nH]1 ZINC001605186066 990407429 /nfs/dbraw/zinc/40/74/29/990407429.db2.gz GLDSWFNSVGRKFM-ONEGZZNKSA-N -1 0 226.301 2.556 20 0 BFADRM CCC[C@H](C)NC(=O)c1ccc(Cl)c([O-])c1 ZINC001544476532 990725606 /nfs/dbraw/zinc/72/56/06/990725606.db2.gz IVDAGKWNECMNPF-QMMMGPOBSA-N -1 0 241.718 2.964 20 0 BFADRM CC/C=C(/C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000210736314 990764298 /nfs/dbraw/zinc/76/42/98/990764298.db2.gz WJGKXDATRMTPAH-UITAMQMPSA-N -1 0 233.267 2.680 20 0 BFADRM CC(C)=CCSC/C(C)=C/C(=O)[O-] ZINC001590927030 990929765 /nfs/dbraw/zinc/92/97/65/990929765.db2.gz PEFSDSSLQSBVLC-RMKNXTFCSA-N -1 0 200.303 2.717 20 0 BFADRM CC(C)=CCSC[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001590927142 990930579 /nfs/dbraw/zinc/93/05/79/990930579.db2.gz SPJOTLUMDHJHCZ-SNVBAGLBSA-N -1 0 242.340 2.833 20 0 BFADRM CC(C)[C@@H](OC(=O)CCC1CCCC1)C(=O)[O-] ZINC001591039703 991370847 /nfs/dbraw/zinc/37/08/47/991370847.db2.gz DZYCBAKSYOOTEP-GFCCVEGCSA-N -1 0 242.315 2.609 20 0 BFADRM CC(C)/C=C\C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001591104576 991729434 /nfs/dbraw/zinc/72/94/34/991729434.db2.gz HZWGAEZKJBXXEE-BAQGIRSFSA-N -1 0 248.278 2.640 20 0 BFADRM CC1(NC(=O)c2ccc(Cl)c([O-])c2)CCC1 ZINC001566481168 991859436 /nfs/dbraw/zinc/85/94/36/991859436.db2.gz TUGIWQFJTQCMGT-UHFFFAOYSA-N -1 0 239.702 2.718 20 0 BFADRM CCCCc1[n-]n(Cc2ccccn2)c(=O)c1C ZINC001261890341 992561343 /nfs/dbraw/zinc/56/13/43/992561343.db2.gz BHNGGTUFCHJKHX-LLVKDONJSA-N -1 0 245.326 2.606 20 0 BFADRM C[C@H](S[C@H]1CCC(C)(C)C1)C(=O)[O-] ZINC001573640891 992668471 /nfs/dbraw/zinc/66/84/71/992668471.db2.gz NSOGLASLNGAJOH-YUMQZZPRSA-N -1 0 202.319 2.771 20 0 BFADRM O=C(c1cccc([S-])c1)N1CCC2(CCC2)C1 ZINC000380369324 993327103 /nfs/dbraw/zinc/32/71/03/993327103.db2.gz QVGVPRAZTUXZTF-UHFFFAOYSA-N -1 0 247.363 2.992 20 0 BFADRM COc1ncc(-c2ccccc2C(=O)[O-])s1 ZINC000381111645 993372180 /nfs/dbraw/zinc/37/21/80/993372180.db2.gz GCRYYFJXAKNOIP-UHFFFAOYSA-N -1 0 235.264 2.517 20 0 BFADRM CC(C)C[C@@H]1C[C@H]1N=c1nc(C(C)C)[n-]s1 ZINC000385148396 993651421 /nfs/dbraw/zinc/65/14/21/993651421.db2.gz CPVUCBPJUOJBFI-NXEZZACHSA-N -1 0 239.388 2.930 20 0 BFADRM 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COc1cc(NCC2=CCCC2)ccc1C(=O)[O-] ZINC001599443761 997973680 /nfs/dbraw/zinc/97/36/80/997973680.db2.gz IDJXAOGIGAXWNT-UHFFFAOYSA-N -1 0 247.294 2.916 20 0 BFADRM COCCc1cccc(-c2cc(C(=O)[O-])co2)c1 ZINC001599263355 998424978 /nfs/dbraw/zinc/42/49/78/998424978.db2.gz CLMIQHSGOWDFDC-UHFFFAOYSA-N -1 0 246.262 2.834 20 0 BFADRM COc1cc(C(=O)[O-])ccc1N[C@@H]1C[C@@H](C)[C@H]1C ZINC001599375386 998477438 /nfs/dbraw/zinc/47/74/38/998477438.db2.gz LMRIORFWJQAMFS-KBVBSXBZSA-N -1 0 249.310 2.850 20 0 BFADRM CO[C@@H](C)CSCc1ccc(C(=O)[O-])s1 ZINC001599037822 999096370 /nfs/dbraw/zinc/09/63/70/999096370.db2.gz QLEYCKLKWWOKDO-ZETCQYMHSA-N -1 0 246.353 2.714 20 0 BFADRM C[C@@H]1CC[C@@H](C(=O)OCCCCCC(=O)[O-])C1 ZINC001594296852 999144023 /nfs/dbraw/zinc/14/40/23/999144023.db2.gz PLRLBBSSDJHYJM-GHMZBOCLSA-N -1 0 242.315 2.611 20 0 BFADRM C[C@H]1CCCC[C@@H]1COc1cccnc1C(=O)[O-] ZINC001594367241 999387445 /nfs/dbraw/zinc/38/74/45/999387445.db2.gz POSJGQWHXNGQSI-WDEREUQCSA-N -1 0 249.310 2.985 20 0 BFADRM 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Cc1cc(NC(=O)CC(C)C)sc1C(=O)[O-] ZINC000021960151 178127369 /nfs/dbraw/zinc/12/73/69/178127369.db2.gz TWMDTXRDCUROOT-UHFFFAOYSA-N -1 0 241.312 2.739 20 0 BFADRM CCC(CC)C(=O)Nc1ccsc1C(=O)[O-] ZINC000019272474 168341660 /nfs/dbraw/zinc/34/16/60/168341660.db2.gz LSASYNDTFAQAHY-UHFFFAOYSA-N -1 0 241.312 2.821 20 0 BFADRM CCC(F)(F)CN=c1nc(C(C)C)[n-]s1 ZINC000624560438 398215269 /nfs/dbraw/zinc/21/52/69/398215269.db2.gz DOWKYPSQUKGEMH-UHFFFAOYSA-N -1 0 235.303 2.541 20 0 BFADRM Oc1ccc(-c2noc([C@H]3CC34CC4)n2)cc1 ZINC000351344055 398235068 /nfs/dbraw/zinc/23/50/68/398235068.db2.gz WWMQLMWQYFNIQR-SNVBAGLBSA-N -1 0 228.251 2.710 20 0 BFADRM Oc1ccc(-c2noc([C@@H]3CC34CC4)n2)cc1 ZINC000351344054 398235074 /nfs/dbraw/zinc/23/50/74/398235074.db2.gz WWMQLMWQYFNIQR-JTQLQIEISA-N -1 0 228.251 2.710 20 0 BFADRM CCC(CC)CNC(=O)c1cccc(C(=O)[O-])c1 ZINC000161028520 168358938 /nfs/dbraw/zinc/35/89/38/168358938.db2.gz SFYRGXJBHJPHBY-UHFFFAOYSA-N -1 0 249.310 2.551 20 0 BFADRM Cc1ccc(C(=O)N(C)CC2CCCC2)c(O)c1 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178442293 /nfs/dbraw/zinc/44/22/93/178442293.db2.gz BZOGLDPETHDSNN-VIFPVBQESA-N -1 0 247.294 2.678 20 0 BFADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C1(C)CCC1 ZINC000262538922 178442666 /nfs/dbraw/zinc/44/26/66/178442666.db2.gz QSYGQSAPLOFLOE-UHFFFAOYSA-N -1 0 247.294 2.822 20 0 BFADRM C(N=c1[n-]c(C2CCC2)no1)[C@@H]1CCCC12CC2 ZINC000624757678 342825529 /nfs/dbraw/zinc/82/55/29/342825529.db2.gz GLRTXWFGRZBBOY-NSHDSACASA-N -1 0 247.342 2.751 20 0 BFADRM Cc1cc(-c2cc(=O)n(CC(C)C)[n-]2)ccc1F ZINC000634584007 342826011 /nfs/dbraw/zinc/82/60/11/342826011.db2.gz OHWCNNZLRLOJLK-UHFFFAOYSA-N -1 0 248.301 2.727 20 0 BFADRM C(N=c1[n-]nc(C2CC2)s1)[C@H]1CCCC12CC2 ZINC000624758539 342826059 /nfs/dbraw/zinc/82/60/59/342826059.db2.gz ZUCCPOAKGFZKJB-SNVBAGLBSA-N -1 0 249.383 2.830 20 0 BFADRM CC(C)c1n[n-]c(=NC[C@@H](C)C2CC2)s1 ZINC000389863644 539017747 /nfs/dbraw/zinc/01/77/47/539017747.db2.gz FRTPBJBOYBIXHC-MRVPVSSYSA-N -1 0 225.361 2.541 20 0 BFADRM CC(C)CN(C)c1ncc(C(=O)[O-])cc1Cl ZINC000037108988 398301455 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ZINC000088256062 368908799 /nfs/dbraw/zinc/90/87/99/368908799.db2.gz VXHSNOAXRORPSG-UHFFFAOYSA-N -1 0 247.338 2.995 20 0 BFADRM CC(C)c1ccc(-c2cn(C)nc2C(=O)[O-])cc1 ZINC000084071876 368847853 /nfs/dbraw/zinc/84/78/53/368847853.db2.gz JJJKKSNDGAQBRN-UHFFFAOYSA-N -1 0 244.294 2.909 20 0 BFADRM CC(C)c1nc(=NCC[C@@H]2CC2(F)F)s[n-]1 ZINC000621345440 370278378 /nfs/dbraw/zinc/27/83/78/370278378.db2.gz MGMHRVITZQTMGO-SSDOTTSWSA-N -1 0 247.314 2.541 20 0 BFADRM CC(C)c1n[n-]c(=NCC[C@@H]2CC2(F)F)s1 ZINC000621345416 370279265 /nfs/dbraw/zinc/27/92/65/370279265.db2.gz LKGLKOWMAFUYIF-SSDOTTSWSA-N -1 0 247.314 2.541 20 0 BFADRM Cc1cc(Cl)cc(NC(=O)[C@@H]2C[C@@H]2C)c1O ZINC000112640852 370337671 /nfs/dbraw/zinc/33/76/71/370337671.db2.gz JJVCXKAORXJZCJ-IMTBSYHQSA-N -1 0 239.702 2.949 20 0 BFADRM CC(C)(C)CCCNc1nc(C(=O)[O-])co1 ZINC000313265499 370575743 /nfs/dbraw/zinc/57/57/43/370575743.db2.gz RRZWORFVINYRRC-UHFFFAOYSA-N -1 0 226.276 2.611 20 0 BFADRM Cc1ccccc1CNc1ncccc1C(=O)[O-] ZINC000013091517 371005322 /nfs/dbraw/zinc/00/53/22/371005322.db2.gz OIDSETKOOPZNII-UHFFFAOYSA-N -1 0 242.278 2.700 20 0 BFADRM COc1cccc(-c2cc(C(=O)[O-])co2)c1 ZINC000379141470 371052468 /nfs/dbraw/zinc/05/24/68/371052468.db2.gz AZOVPBKPVHKLFM-UHFFFAOYSA-N -1 0 218.208 2.653 20 0 BFADRM Cc1cc(=O)n(-c2ncc(Cl)cc2Cl)[n-]1 ZINC000039368967 372956825 /nfs/dbraw/zinc/95/68/25/372956825.db2.gz KFDMMMSHYPETTA-UHFFFAOYSA-N -1 0 244.081 2.501 20 0 BFADRM CC(C)c1n[n-]c(=NC[C@H]2CCCC[C@H]2C)o1 ZINC000450279484 206101917 /nfs/dbraw/zinc/10/19/17/206101917.db2.gz VNBZEAXGAJKJSR-GHMZBOCLSA-N -1 0 237.347 2.853 20 0 BFADRM O=C(Nc1cccc(Cl)c1[O-])C1CCC1 ZINC000265199950 182369435 /nfs/dbraw/zinc/36/94/35/182369435.db2.gz XUAISNUDRFYRNT-UHFFFAOYSA-N -1 0 225.675 2.784 20 0 BFADRM O=C([O-])c1cc(O)cc(OCc2ccccc2)c1 ZINC000095933526 182557771 /nfs/dbraw/zinc/55/77/71/182557771.db2.gz GMNCZGJHAYMSSS-UHFFFAOYSA-N -1 0 244.246 2.669 20 0 BFADRM O=C([O-])c1ccccc1Nc1ccccc1O ZINC000005933879 182582724 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/nfs/dbraw/zinc/35/62/62/169356262.db2.gz FSTCSPLFQSQIAM-LLVKDONJSA-N -1 0 243.347 2.574 20 0 BFADRM CCC[C@H](CC)Nc1cccc(C(=O)[O-])n1 ZINC000051067493 169497286 /nfs/dbraw/zinc/49/72/86/169497286.db2.gz CECPDNMNILYBHK-VIFPVBQESA-N -1 0 222.288 2.770 20 0 BFADRM CCN(C(=O)CC(C)(C)C(=O)[O-])c1ccccc1 ZINC000077427482 169631704 /nfs/dbraw/zinc/63/17/04/169631704.db2.gz DCEJTOFLVIRSOF-UHFFFAOYSA-N -1 0 249.310 2.540 20 0 BFADRM CCc1ccc(NC(=O)CCCCC(=O)[O-])cc1 ZINC000035721591 383869332 /nfs/dbraw/zinc/86/93/32/383869332.db2.gz OTOGTTVHPKAXFC-UHFFFAOYSA-N -1 0 249.310 2.833 20 0 BFADRM CC(C)[C@H](C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000087844401 383870504 /nfs/dbraw/zinc/87/05/04/383870504.db2.gz XDMPXHDKCXNYGO-JTQLQIEISA-N -1 0 249.310 2.544 20 0 BFADRM CC(C)[C@H](C)N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000036788302 383910142 /nfs/dbraw/zinc/91/01/42/383910142.db2.gz HOALKVNMCRUTJC-JTQLQIEISA-N -1 0 249.310 2.501 20 0 BFADRM C[C@@H]1CC[C@H]1NC(=O)c1cc(Cl)ccc1O ZINC000309408710 383978152 /nfs/dbraw/zinc/97/81/52/383978152.db2.gz IIUIYSHMMXNJHN-GMSGAONNSA-N -1 0 239.702 2.574 20 0 BFADRM C[C@H]1CC[C@@H]1NC(=O)c1cc(Cl)ccc1O ZINC000309408716 383977500 /nfs/dbraw/zinc/97/75/00/383977500.db2.gz IIUIYSHMMXNJHN-XVKPBYJWSA-N -1 0 239.702 2.574 20 0 BFADRM C[C@H]1CC[C@@H](Nc2cccc(CC(=O)[O-])c2)C1 ZINC000569571664 384270394 /nfs/dbraw/zinc/27/03/94/384270394.db2.gz CXBISOKLJMSRIJ-GXFFZTMASA-N -1 0 233.311 2.914 20 0 BFADRM CC[C@@H](C)C(=O)Nc1ccc(O)cc1F ZINC000082879376 384273550 /nfs/dbraw/zinc/27/35/50/384273550.db2.gz AJONUCBDHSQILR-SSDOTTSWSA-N -1 0 211.236 2.516 20 0 BFADRM CC(C)CCC(=O)NCc1ccc(O)c(F)c1 ZINC000133141089 384274984 /nfs/dbraw/zinc/27/49/84/384274984.db2.gz HAZAWCCFKNLIDW-UHFFFAOYSA-N -1 0 239.290 2.584 20 0 BFADRM O=Cc1cccc(-c2sccc2C(=O)[O-])c1 ZINC000095934858 384412705 /nfs/dbraw/zinc/41/27/05/384412705.db2.gz ANLINMNXWUDZJH-UHFFFAOYSA-N -1 0 232.260 2.926 20 0 BFADRM Cc1ccc(O)c(-c2nc(CC3CC3)no2)c1 ZINC000149310341 384474799 /nfs/dbraw/zinc/47/47/99/384474799.db2.gz RBXJDVGDJCAWLH-UHFFFAOYSA-N -1 0 230.267 2.703 20 0 BFADRM O=C([O-])CN(c1ccccc1F)C1CCCC1 ZINC000238094891 384491588 /nfs/dbraw/zinc/49/15/88/384491588.db2.gz FBQYDLPOYIQDRP-UHFFFAOYSA-N -1 0 237.274 2.659 20 0 BFADRM CC/C=C(\C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000019472949 384526590 /nfs/dbraw/zinc/52/65/90/384526590.db2.gz MJRYUHUSDJPVIA-ONNFQVAWSA-N -1 0 247.294 2.609 20 0 BFADRM COc1cccc(-c2cc(C(=O)[O-])co2)c1OC ZINC000378956807 384632226 /nfs/dbraw/zinc/63/22/26/384632226.db2.gz UEJUZSBROGXJGV-UHFFFAOYSA-N -1 0 248.234 2.662 20 0 BFADRM CC(C)([N-]C(=O)C(F)(F)F)c1cccc(F)c1 ZINC000082278009 384658807 /nfs/dbraw/zinc/65/88/07/384658807.db2.gz JFMOZFLUIMEPDK-UHFFFAOYSA-N -1 0 249.207 2.739 20 0 BFADRM Cc1cscc1NC(=O)CCCCC(=O)[O-] ZINC000261596876 384723989 /nfs/dbraw/zinc/72/39/89/384723989.db2.gz ZAKLEMAPCCKKGP-UHFFFAOYSA-N -1 0 241.312 2.640 20 0 BFADRM CCC1(C(=O)Nc2ccc(C(=O)[O-])cc2)CCC1 ZINC000236871109 384710787 /nfs/dbraw/zinc/71/07/87/384710787.db2.gz MLEOWYASAGYDHU-UHFFFAOYSA-N -1 0 247.294 2.904 20 0 BFADRM CCC[C@H](C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000053200196 384772594 /nfs/dbraw/zinc/77/25/94/384772594.db2.gz ZDGNMXRJHKSAMJ-JTQLQIEISA-N -1 0 249.310 2.688 20 0 BFADRM Cc1cc2snc(C(=O)[O-])c2c(C)c1 ZINC000083986587 384825791 /nfs/dbraw/zinc/82/57/91/384825791.db2.gz ICPNHSUPOJFFCD-UHFFFAOYSA-N -1 0 207.254 2.611 20 0 BFADRM Cc1nc(=NC[C@H]2CCCCC2(F)F)s[n-]1 ZINC000336232817 385055298 /nfs/dbraw/zinc/05/52/98/385055298.db2.gz ZIWUZEJXLCHDCQ-MRVPVSSYSA-N -1 0 247.314 2.506 20 0 BFADRM Cc1n[n-]c(=NC[C@H]2CCCCC2(F)F)s1 ZINC000336232753 385059623 /nfs/dbraw/zinc/05/96/23/385059623.db2.gz POCFFEORXNDJNR-MRVPVSSYSA-N -1 0 247.314 2.506 20 0 BFADRM CCCCC[C@@H](C)NS(=O)(=O)c1ccco1 ZINC000188589479 385066744 /nfs/dbraw/zinc/06/67/44/385066744.db2.gz KTIWHSQKLQFIHS-SNVBAGLBSA-N -1 0 245.344 2.527 20 0 BFADRM CC[C@@]1(C)CCCN(c2ccc(C(=O)[O-])cn2)C1 ZINC000647450869 385032872 /nfs/dbraw/zinc/03/28/72/385032872.db2.gz BHZGVWPWHBBLGH-AWEZNQCLSA-N -1 0 248.326 2.796 20 0 BFADRM CCC[C@@H]1CCCN(c2ccc(C(=O)[O-])cn2)C1 ZINC000647451655 385036929 /nfs/dbraw/zinc/03/69/29/385036929.db2.gz CPVAHIZEOWRNAN-LLVKDONJSA-N -1 0 248.326 2.796 20 0 BFADRM CN(CCCCC(=O)[O-])c1c(F)cccc1F ZINC000181548994 385582833 /nfs/dbraw/zinc/58/28/33/385582833.db2.gz MRKROOKOBGRQBD-UHFFFAOYSA-N -1 0 243.253 2.656 20 0 BFADRM CC(C)C(C)(C)CN=c1[n-]nc(C(F)F)s1 ZINC000336654006 385719726 /nfs/dbraw/zinc/71/97/26/385719726.db2.gz JUTWHJJGLFPCMG-UHFFFAOYSA-N -1 0 249.330 2.992 20 0 BFADRM C[C@@H](C(=O)[N-]OC1CCCC1)c1cccs1 ZINC000271850878 385854660 /nfs/dbraw/zinc/85/46/60/385854660.db2.gz ZVFLWGNHJJPPEY-SECBINFHSA-N -1 0 239.340 2.842 20 0 BFADRM CCSCc1nc(=O)c2sccc2[n-]1 ZINC000272807363 385936324 /nfs/dbraw/zinc/93/63/24/385936324.db2.gz HHRKKNQRGHEMEC-UHFFFAOYSA-N -1 0 226.326 2.650 20 0 BFADRM CC(C)c1n[n-]c(=N[C@@H]2CCC2(C)C)s1 ZINC000336770707 386013064 /nfs/dbraw/zinc/01/30/64/386013064.db2.gz WVLADUYZTZTVDD-MRVPVSSYSA-N -1 0 225.361 2.684 20 0 BFADRM CCCc1nc(=N[C@H]2CC23CCCC3)s[n-]1 ZINC000336752112 386013093 /nfs/dbraw/zinc/01/30/93/386013093.db2.gz DHBIYOWNLYMGDT-VIFPVBQESA-N -1 0 237.372 2.657 20 0 BFADRM CC(C)c1n[n-]c(=N[C@H]2CCC2(C)C)s1 ZINC000336770708 386015234 /nfs/dbraw/zinc/01/52/34/386015234.db2.gz WVLADUYZTZTVDD-QMMMGPOBSA-N -1 0 225.361 2.684 20 0 BFADRM CS[C@H](C(=O)[N-]OC(C)C)c1ccccc1 ZINC000295531281 386046477 /nfs/dbraw/zinc/04/64/77/386046477.db2.gz JOZCZQLWQKWHOS-NSHDSACASA-N -1 0 239.340 2.547 20 0 BFADRM O=C(CC1CC1)Nc1cc(Cl)c([O-])cc1F ZINC000286626406 386060227 /nfs/dbraw/zinc/06/02/27/386060227.db2.gz DFDZOWLNMDJNQY-UHFFFAOYSA-N -1 0 243.665 2.923 20 0 BFADRM C[C@@H](CN=c1[n-]nc(C2CC2)s1)CC(F)F ZINC000645305008 386169151 /nfs/dbraw/zinc/16/91/51/386169151.db2.gz NXUMYTKRVGRAAB-ZCFIWIBFSA-N -1 0 247.314 2.541 20 0 BFADRM CC1(C)CCCCN(c2cccc(C(=O)[O-])n2)C1 ZINC000416416555 386298542 /nfs/dbraw/zinc/29/85/42/386298542.db2.gz MAHHKMOGMHYSCB-UHFFFAOYSA-N -1 0 248.326 2.796 20 0 BFADRM CC[C@@H](C)CC(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000276762566 386372358 /nfs/dbraw/zinc/37/23/58/386372358.db2.gz GGCVUWANMUIVDP-SECBINFHSA-N -1 0 249.310 2.970 20 0 BFADRM CCC[C@@H](C(=O)[O-])[S@@](=O)CC1CCCCC1 ZINC000519586397 386503808 /nfs/dbraw/zinc/50/38/08/386503808.db2.gz ZJWVXPRAJCCOEF-ZBEGNZNMSA-N -1 0 246.372 2.569 20 0 BFADRM CC[C@H](C(=O)[O-])N1CC(C)(C)c2ccccc21 ZINC000648407935 386555176 /nfs/dbraw/zinc/55/51/76/386555176.db2.gz UWBSXVQCCWEOEG-LLVKDONJSA-N -1 0 233.311 2.647 20 0 BFADRM Cc1n[n-]c(=NCc2ccc3sccc3c2)o1 ZINC000357606341 386811482 /nfs/dbraw/zinc/81/14/82/386811482.db2.gz GZPMJWQMAZFLAO-UHFFFAOYSA-N -1 0 245.307 2.627 20 0 BFADRM Cc1n[n-]c(=N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)o1 ZINC000341457134 386907966 /nfs/dbraw/zinc/90/79/66/386907966.db2.gz OAHSYBFVDXIXDD-QJPTWQEYSA-N -1 0 235.331 2.571 20 0 BFADRM C(CN=c1[n-]nc(C2CC2)o1)CC1CCCC1 ZINC000341596723 386930071 /nfs/dbraw/zinc/93/00/71/386930071.db2.gz QRJFWEKSRROEPM-UHFFFAOYSA-N -1 0 235.331 2.751 20 0 BFADRM O=C(c1c([O-])cccc1F)N1CC2(C1)CCCC2 ZINC000334999312 387092484 /nfs/dbraw/zinc/09/24/84/387092484.db2.gz ANFSFSQARCHVEP-UHFFFAOYSA-N -1 0 249.285 2.548 20 0 BFADRM Oc1ccc(F)c(C[NH2+]C[C@@H]2CC23CC3)c1F ZINC000418097432 387107318 /nfs/dbraw/zinc/10/73/18/387107318.db2.gz NQACJLMDRDVJSQ-QMMMGPOBSA-N -1 0 239.265 2.560 20 0 BFADRM Cc1cc(=NC(=O)C[C@H](C)C(C)(C)C)[n-]nc1C ZINC000359506616 387114381 /nfs/dbraw/zinc/11/43/81/387114381.db2.gz VDGSCLUFOLZTSL-JTQLQIEISA-N -1 0 249.358 2.526 20 0 BFADRM CC[C@H]1CCCN1C(=O)c1c([O-])cccc1F ZINC000228845612 387134029 /nfs/dbraw/zinc/13/40/29/387134029.db2.gz RSTXHKSEPMBGKA-VIFPVBQESA-N -1 0 237.274 2.546 20 0 BFADRM CC[C@@H]1CCCN1C(=O)c1c([O-])cccc1F ZINC000228845603 387135447 /nfs/dbraw/zinc/13/54/47/387135447.db2.gz RSTXHKSEPMBGKA-SECBINFHSA-N -1 0 237.274 2.546 20 0 BFADRM C[C@H](Nc1cnc(C(=O)[O-])cn1)C1CCCCC1 ZINC000230077174 387232683 /nfs/dbraw/zinc/23/26/83/387232683.db2.gz RCFSTFBQFYAQQL-VIFPVBQESA-N -1 0 249.314 2.556 20 0 BFADRM CC1(C(=O)Nc2cc(F)cc(Cl)c2[O-])CC1 ZINC000336461823 387293129 /nfs/dbraw/zinc/29/31/29/387293129.db2.gz PHFFOQMGHQPGHO-UHFFFAOYSA-N -1 0 243.665 2.923 20 0 BFADRM CCCC(C)(C)CC(=O)N=c1cc(C)c(C)n[n-]1 ZINC000362394848 387607890 /nfs/dbraw/zinc/60/78/90/387607890.db2.gz BXMOCZCKFKLCHQ-UHFFFAOYSA-N -1 0 249.358 2.670 20 0 BFADRM CO[N-]C(=O)C1(c2ccccc2)CCCCCC1 ZINC000527823244 387746326 /nfs/dbraw/zinc/74/63/26/387746326.db2.gz SYIFHKSGGKAGJG-UHFFFAOYSA-N -1 0 247.338 2.956 20 0 BFADRM CCOCc1ccc(N=c2nc(C)[n-]s2)cc1 ZINC000356783342 387720479 /nfs/dbraw/zinc/72/04/79/387720479.db2.gz UHKXRDNTRAOXHI-UHFFFAOYSA-N -1 0 249.339 2.549 20 0 BFADRM C1CC1c1n[n-]c(=N[C@H]2CC23CCCCC3)s1 ZINC000356790001 387722226 /nfs/dbraw/zinc/72/22/26/387722226.db2.gz FVRHSZKNIQMCNK-JTQLQIEISA-N -1 0 249.383 2.972 20 0 BFADRM O=C([O-])CCC(=O)Nc1csc2ccccc12 ZINC000084575599 388080012 /nfs/dbraw/zinc/08/00/12/388080012.db2.gz BHCNUSQOFZIQAE-UHFFFAOYSA-N -1 0 249.291 2.705 20 0 BFADRM CC(C)c1noc(=N[C@@H]2C[C@@H]2C2CCCCC2)[n-]1 ZINC000462895155 388274211 /nfs/dbraw/zinc/27/42/11/388274211.db2.gz KHJAHAGMSOALHR-VXGBXAGGSA-N -1 0 249.358 2.996 20 0 BFADRM Cc1cc(N[C@H]2CCO[C@H](C)C2)ccc1C(=O)[O-] ZINC000235342371 388367395 /nfs/dbraw/zinc/36/73/95/388367395.db2.gz KJOGNQUOGUKKBX-PWSUYJOCSA-N -1 0 249.310 2.673 20 0 BFADRM Cc1nc(=N[C@H]2CCc3ccc(F)cc32)s[n-]1 ZINC000524689318 388374935 /nfs/dbraw/zinc/37/49/35/388374935.db2.gz JSVISEBGPHPETF-NSHDSACASA-N -1 0 249.314 2.507 20 0 BFADRM O=C([O-])c1ccc(NC(=O)CCC2CC2)cc1 ZINC000238108250 388400043 /nfs/dbraw/zinc/40/00/43/388400043.db2.gz GHHXJUUNZXSFKO-UHFFFAOYSA-N -1 0 233.267 2.514 20 0 BFADRM Cc1ccc(-c2noc(=NC[C@@H]3C[C@@H]3C)[n-]2)cc1 ZINC000517110246 388538060 /nfs/dbraw/zinc/53/80/60/388538060.db2.gz CVBXXQRHBGXDSX-JQWIXIFHSA-N -1 0 243.310 2.535 20 0 BFADRM Cc1nn(C)c(-c2cc(C)ccc2C)c1C(=O)[O-] ZINC000082551327 388587663 /nfs/dbraw/zinc/58/76/63/388587663.db2.gz MKMJXCGXXZUZPG-UHFFFAOYSA-N -1 0 244.294 2.711 20 0 BFADRM CCCC[C@@H](CC)C(=O)N=c1cc(C)c(C)n[n-]1 ZINC000522316506 388750161 /nfs/dbraw/zinc/75/01/61/388750161.db2.gz ZGOOLSCORHNXLN-GFCCVEGCSA-N -1 0 249.358 2.670 20 0 BFADRM O=C([O-])c1cccc(NC(=O)[C@H]2CC=CCC2)c1 ZINC000013094911 388726533 /nfs/dbraw/zinc/72/65/33/388726533.db2.gz LFICINDKRWCKAU-JTQLQIEISA-N -1 0 245.278 2.680 20 0 BFADRM CCc1ccc(N=c2nc(C)[n-]s2)cc1C ZINC000540027461 388792009 /nfs/dbraw/zinc/79/20/09/388792009.db2.gz RMNWPIBEYCFAEA-UHFFFAOYSA-N -1 0 233.340 2.883 20 0 BFADRM C[C@H](c1ccco1)N(C)Cc1occc1C(=O)[O-] ZINC000565101921 388914663 /nfs/dbraw/zinc/91/46/63/388914663.db2.gz AXBBTUFIXPLCCA-SECBINFHSA-N -1 0 249.266 2.764 20 0 BFADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCC1CC1 ZINC000262415913 388933704 /nfs/dbraw/zinc/93/37/04/388933704.db2.gz BYWYCIUZHIIDIP-UHFFFAOYSA-N -1 0 247.294 2.822 20 0 BFADRM Cc1ccc2c(c1)CCCN2CCCC(=O)[O-] ZINC000020433384 132250703 /nfs/dbraw/zinc/25/07/03/132250703.db2.gz UTADKIPSYQQSQS-UHFFFAOYSA-N -1 0 233.311 2.612 20 0 BFADRM C[C@H]1CCc2ccccc2N1CCCC(=O)[O-] ZINC000034956544 132337304 /nfs/dbraw/zinc/33/73/04/132337304.db2.gz VFCZMSRUAPOACY-NSHDSACASA-N -1 0 233.311 2.693 20 0 BFADRM Cc1cccc2nc3c(c(C)c12)C[C@@H](C(=O)[O-])C3 ZINC000335457265 133852391 /nfs/dbraw/zinc/85/23/91/133852391.db2.gz UKUNRZMMEXQWQQ-SNVBAGLBSA-N -1 0 241.290 2.651 20 0 BFADRM CC(C)N(CC(=O)[O-])C(=O)CCCC(C)(C)C ZINC000178072513 134303173 /nfs/dbraw/zinc/30/31/73/134303173.db2.gz ZPKDPWVDKZMJQQ-UHFFFAOYSA-N -1 0 243.347 2.524 20 0 BFADRM CCCC[C@@H](CC)CC(=O)N(C)[C@H](C)C(=O)[O-] ZINC000178130029 134306308 /nfs/dbraw/zinc/30/63/08/134306308.db2.gz KJNVWWACIDHHEP-GHMZBOCLSA-N -1 0 243.347 2.524 20 0 BFADRM CCc1csc(N[C@@H](CC(C)C)C(=O)[O-])n1 ZINC000061894125 134804404 /nfs/dbraw/zinc/80/44/04/134804404.db2.gz DKCRNMGMZRCXOW-VIFPVBQESA-N -1 0 242.344 2.617 20 0 BFADRM CCCC[C@H](C)C(=O)N[C@@H](CCCC)C(=O)[O-] ZINC000261553830 135193531 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2.947 20 0 BFADRM CSc1ccc(C)c(N[C@@H](C)C(=O)[O-])c1 ZINC000904205434 584852556 /nfs/dbraw/zinc/85/25/56/584852556.db2.gz RFNKENDWPIRCST-QMMMGPOBSA-N -1 0 225.313 2.602 20 0 BFADRM CCSCc1ccc(N[C@H](C)C(=O)[O-])cc1 ZINC000904246307 584856707 /nfs/dbraw/zinc/85/67/07/584856707.db2.gz MTFQTVUHSWBBJN-SECBINFHSA-N -1 0 239.340 2.825 20 0 BFADRM COCCCCCOc1ccc(C(=O)[O-])cc1 ZINC000737760477 584883839 /nfs/dbraw/zinc/88/38/39/584883839.db2.gz XSXDABULRAQMHJ-UHFFFAOYSA-N -1 0 238.283 2.580 20 0 BFADRM CC(C)(C)/C=C/C(=O)Oc1ccccc1C(=O)[O-] ZINC000736252387 584994564 /nfs/dbraw/zinc/99/45/64/584994564.db2.gz YOYSBKSWUVLCPC-CMDGGOBGSA-N -1 0 248.278 2.893 20 0 BFADRM CC(C)=Cc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736343950 584998577 /nfs/dbraw/zinc/99/85/77/584998577.db2.gz WMGHSYONJYFCNQ-UHFFFAOYSA-N -1 0 244.250 2.858 20 0 BFADRM CC(C)[C@H](C)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC000736353019 584998689 /nfs/dbraw/zinc/99/86/89/584998689.db2.gz GRPDXYUMIPRBCA-VIFPVBQESA-N -1 0 236.267 2.582 20 0 BFADRM CC(C)[C@H](OC(=O)CC1=CCCCC1)C(=O)[O-] ZINC000736389215 585000353 /nfs/dbraw/zinc/00/03/53/585000353.db2.gz HKITYSOMVDJKDC-LBPRGKRZSA-N -1 0 240.299 2.529 20 0 BFADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)[O-] ZINC000736392728 585000578 /nfs/dbraw/zinc/00/05/78/585000578.db2.gz WOSADEHHVNHPRC-NSHDSACASA-N -1 0 207.273 2.994 20 0 BFADRM CCC[C@H](C)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000736424746 585001672 /nfs/dbraw/zinc/00/16/72/585001672.db2.gz SAUBAIFUEUBNKE-QMMMGPOBSA-N -1 0 249.293 2.606 20 0 BFADRM CC(C)C[C@@H](OC(=O)/C=C/C(C)(C)C)C(=O)[O-] ZINC000736428126 585001835 /nfs/dbraw/zinc/00/18/35/585001835.db2.gz UHOPWACDUJRBBL-VQCYPWCPSA-N -1 0 242.315 2.631 20 0 BFADRM CC(C)C[C@@H](OC(=O)/C=C\C(C)(C)C)C(=O)[O-] ZINC000736428125 585001878 /nfs/dbraw/zinc/00/18/78/585001878.db2.gz UHOPWACDUJRBBL-JYESYGNLSA-N -1 0 242.315 2.631 20 0 BFADRM C[C@@H](SC[C@@H](C)C(=O)[O-])c1ccncc1 ZINC000736618398 585007610 /nfs/dbraw/zinc/00/76/10/585007610.db2.gz RAGRZONGEKDKFO-RKDXNWHRSA-N -1 0 225.313 2.597 20 0 BFADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[O-] ZINC000736621474 585008215 /nfs/dbraw/zinc/00/82/15/585008215.db2.gz AVWSBPUIOKHCRV-QMMMGPOBSA-N -1 0 227.691 2.881 20 0 BFADRM O=C([O-])/C(=C\c1cccs1)c1ccncc1 ZINC000138221940 585015798 /nfs/dbraw/zinc/01/57/98/585015798.db2.gz SVGIIOVRNVSJOX-FLIBITNWSA-N -1 0 231.276 2.768 20 0 BFADRM C[C@H]1SCCN(C(=O)[O-])[C@H]1c1ccccc1 ZINC000736836039 585017201 /nfs/dbraw/zinc/01/72/01/585017201.db2.gz HUEOIDKENNRWAA-MWLCHTKSSA-N -1 0 237.324 2.843 20 0 BFADRM CC[C@@H](CC(=O)O[C@H](C(=O)[O-])C(C)C)C(C)C ZINC000736891555 585018858 /nfs/dbraw/zinc/01/88/58/585018858.db2.gz DZYITFJLPPKWRG-JQWIXIFHSA-N -1 0 244.331 2.711 20 0 BFADRM CC[C@@H](C)OC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736887983 585018964 /nfs/dbraw/zinc/01/89/64/585018964.db2.gz UNUUUTKQVKTVLW-MRVPVSSYSA-N -1 0 237.255 2.732 20 0 BFADRM CC/C=C/COC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736948546 585019970 /nfs/dbraw/zinc/01/99/70/585019970.db2.gz MLFBXHMAJDKJEE-ONEGZZNKSA-N -1 0 249.266 2.900 20 0 BFADRM CCCCOC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736998924 585022116 /nfs/dbraw/zinc/02/21/16/585022116.db2.gz PNOCZEWNJLJDGO-UHFFFAOYSA-N -1 0 237.255 2.733 20 0 BFADRM CCO[C@H]1C[C@H](N(C)C(=O)[O-])C12CCCCC2 ZINC000737159384 585026589 /nfs/dbraw/zinc/02/65/89/585026589.db2.gz XJRVBURUAWTDCM-QWRGUYRKSA-N -1 0 241.331 2.724 20 0 BFADRM CCSc1ccc(Cl)cc1NCC(=O)[O-] ZINC000737228636 585027722 /nfs/dbraw/zinc/02/77/22/585027722.db2.gz CKBKAANYIXDQOQ-UHFFFAOYSA-N -1 0 245.731 2.949 20 0 BFADRM CON(C(=O)c1cccc(C)c1O)C1CCCC1 ZINC000757654139 585343781 /nfs/dbraw/zinc/34/37/81/585343781.db2.gz AHVFZALZGKPBFG-UHFFFAOYSA-N -1 0 249.310 2.647 20 0 BFADRM CC(C)CCCCCC(=O)NC(C)(C)C(=O)[O-] ZINC000766900449 585510240 /nfs/dbraw/zinc/51/02/40/585510240.db2.gz AUUSSGZQCXYSDU-UHFFFAOYSA-N -1 0 243.347 2.572 20 0 BFADRM CCCCC[C@@H](C)CC(=O)N(C)CCC(=O)[O-] ZINC000767125635 585514378 /nfs/dbraw/zinc/51/43/78/585514378.db2.gz OCPSHEALQRNFHM-LLVKDONJSA-N -1 0 243.347 2.526 20 0 BFADRM CCCCCC[C@@H](C)C(=O)N[C@H](CC)C(=O)[O-] ZINC000769564052 585559455 /nfs/dbraw/zinc/55/94/55/585559455.db2.gz SKDLZZKUUXJXKH-GHMZBOCLSA-N -1 0 243.347 2.572 20 0 BFADRM O=C(NC1CCCC1)c1cccc(Cl)c1[O-] ZINC000775636490 585681945 /nfs/dbraw/zinc/68/19/45/585681945.db2.gz DRRPBCRAHBEERB-UHFFFAOYSA-N -1 0 239.702 2.718 20 0 BFADRM O=C(Nc1cccnc1)c1cccc(Cl)c1[O-] ZINC000775639403 585682041 /nfs/dbraw/zinc/68/20/41/585682041.db2.gz OLBHFIPCGKWXQS-UHFFFAOYSA-N -1 0 248.669 2.693 20 0 BFADRM CC(C)[C@@H](F)C(=O)Nc1cccc(Cl)c1[O-] ZINC000784456566 585860451 /nfs/dbraw/zinc/86/04/51/585860451.db2.gz UKLXCABSMKXJNG-SECBINFHSA-N -1 0 245.681 2.978 20 0 BFADRM CC[C@@H](C)CO[N-]C(=O)[C@H](C)c1ccc(C)o1 ZINC000794843577 586050165 /nfs/dbraw/zinc/05/01/65/586050165.db2.gz SCMHQCPCDCFAIG-MWLCHTKSSA-N -1 0 239.315 2.785 20 0 BFADRM CC[C@H](C)CO[N-]C(=O)C1(F)CCCCC1 ZINC000794855538 586051871 /nfs/dbraw/zinc/05/18/71/586051871.db2.gz XJITVDXQQOWAQU-JTQLQIEISA-N -1 0 231.311 2.753 20 0 BFADRM CC[C@H](C)CO[N-]C(=O)[C@@H](F)c1ccccc1 ZINC000794866659 586052293 /nfs/dbraw/zinc/05/22/93/586052293.db2.gz TVVSGNLGKYBVOU-JQWIXIFHSA-N -1 0 239.290 2.791 20 0 BFADRM C/C=C\COC(=O)c1cc([S-])ccc1F ZINC000798723688 586149176 /nfs/dbraw/zinc/14/91/76/586149176.db2.gz ZAOJSFIUPNXOPQ-IHWYPQMZSA-N -1 0 226.272 2.847 20 0 BFADRM C[C@H]1C[C@H]1COC(=O)c1ccc([O-])c(Cl)c1 ZINC000859450690 589038047 /nfs/dbraw/zinc/03/80/47/589038047.db2.gz UHMCKXGXJMGMLI-CBAPKCEASA-N -1 0 240.686 2.858 20 0 BFADRM Cc1ccc(C(C)(C)C(=O)[N-]OC2CCC2)cc1 ZINC000812788757 586584490 /nfs/dbraw/zinc/58/44/90/586584490.db2.gz YWPIGAIOVPLVRG-UHFFFAOYSA-N -1 0 247.338 2.873 20 0 BFADRM CC[C@H](C)CON=c1nc(C2CC2)[n-]s1 ZINC000813621585 586604765 /nfs/dbraw/zinc/60/47/65/586604765.db2.gz BDVXTGHUTGPUAC-ZETCQYMHSA-N -1 0 227.333 2.805 20 0 BFADRM CC(F)(F)C(=O)Nc1cccc(Cl)c1[O-] ZINC000815877677 586695774 /nfs/dbraw/zinc/69/57/74/586695774.db2.gz BPDHEVSOZHSIIG-UHFFFAOYSA-N -1 0 235.617 2.639 20 0 BFADRM C[C@@H]1C[C@@H]1CNc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000859820804 589063744 /nfs/dbraw/zinc/06/37/44/589063744.db2.gz YFPJBPNDAHHLDD-RKDXNWHRSA-N -1 0 244.294 2.934 20 0 BFADRM CCCCSCC(=O)[N-]OC[C@@H](C)CC ZINC000816977050 586776822 /nfs/dbraw/zinc/77/68/22/586776822.db2.gz PLDRIYLSLSCWGQ-JTQLQIEISA-N -1 0 233.377 2.614 20 0 BFADRM C[C@H](F)CCNC(=O)c1cccc(Cl)c1[O-] ZINC000818298540 586885378 /nfs/dbraw/zinc/88/53/78/586885378.db2.gz VSRFLANCHJUXIM-ZETCQYMHSA-N -1 0 245.681 2.524 20 0 BFADRM COc1ccccc1[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000818631183 586907766 /nfs/dbraw/zinc/90/77/66/586907766.db2.gz IMVAPLLFVDURIB-IUCAKERBSA-N -1 0 240.324 2.963 20 0 BFADRM CCCC[C@H](CC)C(=O)NC1=NC[C@@H](C)S1 ZINC000819763386 586991222 /nfs/dbraw/zinc/99/12/22/586991222.db2.gz BNSTXOWZLZBTBX-ZJUUUORDSA-N -1 0 242.388 2.810 20 0 BFADRM CCOc1cc(C)ccc1N[C@@H](C)CC(=O)[O-] ZINC000820383330 587045364 /nfs/dbraw/zinc/04/53/64/587045364.db2.gz WLZUYWDAZQXDJF-JTQLQIEISA-N -1 0 237.299 2.669 20 0 BFADRM COCc1cccc(CS[C@H](C)C(=O)[O-])c1 ZINC000820744050 587069496 /nfs/dbraw/zinc/06/94/96/587069496.db2.gz ZYTWYFHSNNGOSC-SECBINFHSA-N -1 0 240.324 2.539 20 0 BFADRM CCC[C@@H](C)Sc1ccc(-c2nn[nH]n2)cn1 ZINC000821014978 587088588 /nfs/dbraw/zinc/08/85/88/587088588.db2.gz MLADDOCVDMVSSR-MRVPVSSYSA-N -1 0 249.343 2.542 20 0 BFADRM Cc1cccc(NCc2cccc(C(=O)[O-])c2)n1 ZINC000821116803 587097171 /nfs/dbraw/zinc/09/71/71/587097171.db2.gz SGQSFZOIXOAUCB-UHFFFAOYSA-N -1 0 242.278 2.700 20 0 BFADRM O=C([O-])c1cccc(CNc2ncccc2F)c1 ZINC000821552507 587127980 /nfs/dbraw/zinc/12/79/80/587127980.db2.gz RJQCTVJVJMFYRR-UHFFFAOYSA-N -1 0 246.241 2.531 20 0 BFADRM C[C@]1(C(=O)[N-]Oc2ccc(F)cc2)C=CCC1 ZINC000824622319 587279760 /nfs/dbraw/zinc/27/97/60/587279760.db2.gz DAUQPWFDYAOHFM-ZDUSSCGKSA-N -1 0 235.258 2.592 20 0 BFADRM O=C([O-])c1ccccc1NC(=O)[C@@H]1CC=CCC1 ZINC000013166149 589094189 /nfs/dbraw/zinc/09/41/89/589094189.db2.gz ASXVRKBENLBPDU-SNVBAGLBSA-N -1 0 245.278 2.680 20 0 BFADRM C[C@H](NC(=O)[O-])c1c(F)cccc1Cl ZINC000825373545 587317646 /nfs/dbraw/zinc/31/76/46/587317646.db2.gz YFSRVRDPBVGWQD-YFKPBYRVSA-N -1 0 217.627 2.808 20 0 BFADRM C/C(=C/COC(=O)/C=C(/C)C(C)(C)C)C(=O)[O-] ZINC000825759023 587337672 /nfs/dbraw/zinc/33/76/72/587337672.db2.gz VBZQERULKWXNBP-PTKGMRGESA-N -1 0 240.299 2.553 20 0 BFADRM C/C(=C\COc1cc(Cl)ccc1F)C(=O)[O-] ZINC000825786211 587339332 /nfs/dbraw/zinc/33/93/32/587339332.db2.gz GGTUPUUYTXRMIO-QPJJXVBHSA-N -1 0 244.649 2.889 20 0 BFADRM C[C@@H](C(=O)Nc1cccc(NC(=O)[O-])c1)C1CC1 ZINC000826021862 587348880 /nfs/dbraw/zinc/34/88/80/587348880.db2.gz UEGPJOAIEGNQFG-MRVPVSSYSA-N -1 0 248.282 2.761 20 0 BFADRM CC(C)=C(C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000826642148 587357351 /nfs/dbraw/zinc/35/73/51/587357351.db2.gz QMGXUUAGDPZEHZ-UHFFFAOYSA-N -1 0 233.267 2.680 20 0 BFADRM CCCCOc1cccc(NC(=O)[O-])c1 ZINC000826847762 587364078 /nfs/dbraw/zinc/36/40/78/587364078.db2.gz MYIUJSJHSJSFCA-UHFFFAOYSA-N -1 0 209.245 2.955 20 0 BFADRM CCCOc1ccc(N(C)C(=O)[O-])cc1 ZINC000826939591 587366133 /nfs/dbraw/zinc/36/61/33/587366133.db2.gz PEXFHJRDADKMOZ-UHFFFAOYSA-N -1 0 209.245 2.590 20 0 BFADRM CC(C)Sc1ccccc1NCC(=O)[O-] ZINC000827076802 587369580 /nfs/dbraw/zinc/36/95/80/587369580.db2.gz HXPODXQMZMHTOJ-UHFFFAOYSA-N -1 0 225.313 2.684 20 0 BFADRM C[C@H](CC(=O)[O-])SC1Cc2ccccc2C1 ZINC000827386263 587379088 /nfs/dbraw/zinc/37/90/88/587379088.db2.gz RTBASUXOZNGBDP-SECBINFHSA-N -1 0 236.336 2.750 20 0 BFADRM C[C@H](CC(=O)[O-])S[C@@H](C)C(F)(F)F ZINC000827386287 587379259 /nfs/dbraw/zinc/37/92/59/587379259.db2.gz RZZBYTMYXIBBHU-UHNVWZDZSA-N -1 0 216.224 2.534 20 0 BFADRM C/C=C(\C)C(=O)Oc1cc(C(=O)[O-])ccc1C ZINC000828534868 587448767 /nfs/dbraw/zinc/44/87/67/587448767.db2.gz RFDPYSFOAFAXLH-XBXARRHUSA-N -1 0 234.251 2.565 20 0 BFADRM CC[C@@H](CC(=O)OC/C=C(\C)C(=O)[O-])C(C)C ZINC000828770102 587461163 /nfs/dbraw/zinc/46/11/63/587461163.db2.gz CCJVTEFHMKOBEB-RUYJGKKWSA-N -1 0 242.315 2.633 20 0 BFADRM CCC(CC)OC(=O)c1ccc(C(=O)[O-])s1 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