smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](NN=C1CCC[C@H](C)[C@@H]1C)C(=O)[O-] ZINC000381506914 710648694 /nfs/dbraw/zinc/64/86/94/710648694.db2.gz QCHBXIOSXDLBBK-GUBZILKMSA-N -1 0 226.320 2.251 20 30 BEEDRM CC[C@H](NN=C1CCC[C@H]1C(C)C)C(=O)[O-] ZINC000381526011 710651584 /nfs/dbraw/zinc/65/15/84/710651584.db2.gz WQKRLVMLKZOFHG-UWVGGRQHSA-N -1 0 226.320 2.251 20 30 BEEDRM O=C([O-])c1ccc(C=NOC2CCCC2)[nH]1 ZINC000381529244 710652018 /nfs/dbraw/zinc/65/20/18/710652018.db2.gz YGGJKODILFAJRJ-UHFFFAOYSA-N -1 0 222.244 2.006 20 30 BEEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1=NOC1CCC1 ZINC000382004420 710765509 /nfs/dbraw/zinc/76/55/09/710765509.db2.gz KOUJLKQGRGGUEU-RKDXNWHRSA-N -1 0 225.288 2.432 20 30 BEEDRM C=C(C)CNN=C1CC[C@@H](C(=O)[O-])C[C@@H]1C ZINC000382018047 710766367 /nfs/dbraw/zinc/76/63/67/710766367.db2.gz PCCXXTFLGGCZCC-VHSXEESVSA-N -1 0 224.304 2.029 20 30 BEEDRM CC(C)CNN=C1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000382079754 710772648 /nfs/dbraw/zinc/77/26/48/710772648.db2.gz VOMLTLSVWAXRMR-UWVGGRQHSA-N -1 0 226.320 2.109 20 30 BEEDRM CC(C[C@@H](C)CC(C)C)=NNCC(=O)[O-] ZINC000382117452 710794140 /nfs/dbraw/zinc/79/41/40/710794140.db2.gz MPMHGNOTJACOEB-VIFPVBQESA-N -1 0 214.309 2.109 20 30 BEEDRM O=C([O-])C1CCC(=NOCC2CC2)CC1 ZINC000382181837 710805785 /nfs/dbraw/zinc/80/57/85/710805785.db2.gz ZPGABCDNZJJSTR-UHFFFAOYSA-N -1 0 211.261 2.044 20 30 BEEDRM C=C(C)CCNC(=O)C1=C(C(=O)[O-])CCCC1 ZINC000386643026 711034498 /nfs/dbraw/zinc/03/44/98/711034498.db2.gz AIEHVJGXTJJQIG-UHFFFAOYSA-N -1 0 237.299 2.024 20 30 BEEDRM CCCC(CC)=NN[C@@H](CC)C(=O)[O-] ZINC000389278521 711074342 /nfs/dbraw/zinc/07/43/42/711074342.db2.gz QIOMGYACJGPQMJ-VIFPVBQESA-N -1 0 200.282 2.005 20 30 BEEDRM CCC(=NNCC(=O)[O-])c1ccc(Cl)cc1 ZINC000393184535 711155331 /nfs/dbraw/zinc/15/53/31/711155331.db2.gz BFARXVNRKXOZCX-UHFFFAOYSA-N -1 0 240.690 2.128 20 30 BEEDRM C[C@@H]1C[C@@H]1CN=Nc1ccc(C(=O)[O-])cc1 ZINC000381039134 710598532 /nfs/dbraw/zinc/59/85/32/710598532.db2.gz BULFBDJOAJOECF-PSASIEDQSA-N -1 0 218.256 2.439 20 30 BEEDRM C[C@@H]1C[C@H]1CN=Nc1ccc(C(=O)[O-])cc1 ZINC000381039136 710598463 /nfs/dbraw/zinc/59/84/63/710598463.db2.gz BULFBDJOAJOECF-SCZZXKLOSA-N -1 0 218.256 2.439 20 30 BEEDRM O=C([O-])c1ccc(C=NOC/C=C\Cl)cc1 ZINC000381139200 710604431 /nfs/dbraw/zinc/60/44/31/710604431.db2.gz MFQZWHQVAIVBBX-LAKHWXAFSA-N -1 0 239.658 2.488 20 30 BEEDRM CC[C@H](NN=C[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000381254129 710612400 /nfs/dbraw/zinc/61/24/00/710612400.db2.gz QGDXSSRUPNVLQF-VWYCJHECSA-N -1 0 226.320 2.251 20 30 BEEDRM CC[C@H](NN=C1CCCC[C@H]1CC)C(=O)[O-] ZINC000381457245 710639029 /nfs/dbraw/zinc/63/90/29/710639029.db2.gz IVBOOWVJQXJIGN-ZJUUUORDSA-N -1 0 226.320 2.395 20 30 BEEDRM C[C@H]1C(=NOCC2CC2)CC[C@@H]1CC(=O)[O-] ZINC000382385560 711573269 /nfs/dbraw/zinc/57/32/69/711573269.db2.gz MKJPIUNFIYUDFL-PSASIEDQSA-N -1 0 225.288 2.290 20 30 BEEDRM CCCCCCCNC(=O)C(C)(C)C(=O)[O-] ZINC000703743795 712086990 /nfs/dbraw/zinc/08/69/90/712086990.db2.gz KGUTYXLTOGJEMO-UHFFFAOYSA-N -1 0 229.320 2.184 20 30 BEEDRM CCC(=NNCC(=O)[O-])c1cccc(Cl)c1 ZINC000378781418 712360379 /nfs/dbraw/zinc/36/03/79/712360379.db2.gz JSNZIGLOLUYKPH-UHFFFAOYSA-N -1 0 240.690 2.128 20 30 BEEDRM CC[C@@H](NN=Cc1ccccc1Cl)C(=O)[O-] ZINC000390267384 712392546 /nfs/dbraw/zinc/39/25/46/712392546.db2.gz QKXYSKGBIWHGLD-SNVBAGLBSA-N -1 0 240.690 2.127 20 30 BEEDRM CCC[C@@H](Nc1ccc(C#N)cc1)C(=O)[O-] ZINC000036838429 712499694 /nfs/dbraw/zinc/49/96/94/712499694.db2.gz DIXSCPMNQABVGN-LLVKDONJSA-N -1 0 218.256 2.223 20 30 BEEDRM CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(C)(=O)=O)C1(C)C ZINC000042279537 712720203 /nfs/dbraw/zinc/72/02/03/712720203.db2.gz RDCHSDFBJHDCKH-IUCAKERBSA-N -1 0 245.344 2.141 20 30 BEEDRM C=C[C@@H](Sc1nc(C)c(C)o1)C(=O)[O-] ZINC000300928067 963043125 /nfs/dbraw/zinc/04/31/25/963043125.db2.gz CTASXEDSNYTUGT-SSDOTTSWSA-N -1 0 213.258 2.023 20 30 BEEDRM C=C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)[O-] ZINC000301045276 963055865 /nfs/dbraw/zinc/05/58/65/963055865.db2.gz NJGJYTGCKAUONV-GFCCVEGCSA-N -1 0 217.268 2.226 20 30 BEEDRM C=C(C)CSc1n[n-]c(=NC(C)C)s1 ZINC000379599891 1166744531 /nfs/dbraw/zinc/74/45/31/1166744531.db2.gz KHTLAISUQVUUPF-UHFFFAOYSA-N -1 0 229.374 2.449 20 30 BEEDRM C#C[C@H]1CCC[C@H]1Oc1nc(Cl)cc(=O)[n-]1 ZINC001225562863 1166980174 /nfs/dbraw/zinc/98/01/74/1166980174.db2.gz NAQLJWFXBUDSSP-JGVFFNPUSA-N -1 0 238.674 2.016 20 30 BEEDRM CC#CC[C@H](CC)Oc1[n-]c(=S)nnc1C ZINC001227602741 975574814 /nfs/dbraw/zinc/57/48/14/975574814.db2.gz WJCUVRTUXMBURA-VIFPVBQESA-N -1 0 237.328 2.040 20 30 BEEDRM C=CC[C@@H](Oc1[n-]c(=S)nnc1C)C(C)C ZINC001227601650 975578754 /nfs/dbraw/zinc/57/87/54/975578754.db2.gz LCRUPLIGVOYLER-SECBINFHSA-N -1 0 239.344 2.448 20 30 BEEDRM C=CCC1(C=NNCC(=O)[O-])CCCCC1 ZINC001333644479 975923405 /nfs/dbraw/zinc/92/34/05/975923405.db2.gz WWGSQNDDDGSBOE-UHFFFAOYSA-N -1 0 224.304 2.173 20 30 BEEDRM C=C(CCC(=O)[O-])C(=O)N(CC)CCC1CC1 ZINC001602774368 979224964 /nfs/dbraw/zinc/22/49/64/979224964.db2.gz HSDUIYIWZPICKV-UHFFFAOYSA-N -1 0 239.315 2.056 20 30 BEEDRM C=CC[C@@H](Nc1cccc(COC)c1)C(=O)[O-] ZINC001602844768 979302734 /nfs/dbraw/zinc/30/27/34/979302734.db2.gz GOCKNPNTEHPWBR-GFCCVEGCSA-N -1 0 235.283 2.274 20 30 BEEDRM CCN(CC#N)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001605411706 979866048 /nfs/dbraw/zinc/86/60/48/979866048.db2.gz YHUZJJGJHVCRJF-VIFPVBQESA-N -1 0 236.271 2.193 20 30 BEEDRM CCc1oc(C=NNCC(C)C)cc1C(=O)[O-] ZINC001605889238 979927285 /nfs/dbraw/zinc/92/72/85/979927285.db2.gz IGPPHYFVSMXRGG-UHFFFAOYSA-N -1 0 238.287 2.120 20 30 BEEDRM CN(CC1(C#N)CC1)c1ccccc1C(=O)[O-] ZINC001606108992 979957472 /nfs/dbraw/zinc/95/74/72/979957472.db2.gz UTXLRNYXNHVGAX-UHFFFAOYSA-N -1 0 230.267 2.125 20 30 BEEDRM C=C/C(=N\COC)c1ccc(C(=O)[O-])cc1F ZINC001239250603 980503118 /nfs/dbraw/zinc/50/31/18/980503118.db2.gz PLROFTQPWXSUCN-SDNWHVSQSA-N -1 0 237.230 2.103 20 30 BEEDRM C=CC[C@@H](C=C)OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001588453481 982229824 /nfs/dbraw/zinc/22/98/24/982229824.db2.gz YLKRCOWOHLAHNR-OUAUKWLOSA-N -1 0 238.283 2.161 20 30 BEEDRM C=CCC1(C(=O)O[C@H](CC)C(=O)[O-])CCC1 ZINC001588457709 982235720 /nfs/dbraw/zinc/23/57/20/982235720.db2.gz KHXPDILGLRKMCP-SECBINFHSA-N -1 0 226.272 2.139 20 30 BEEDRM C=CCc1ccccc1OC(=O)[C@H](C)C(=O)[O-] ZINC001588470719 982253219 /nfs/dbraw/zinc/25/32/19/982253219.db2.gz SUAVDMRZWTVSLB-SECBINFHSA-N -1 0 234.251 2.041 20 30 BEEDRM C=CCCCNC(=O)c1cc(Cl)ncc1[O-] ZINC001196400378 982446910 /nfs/dbraw/zinc/44/69/10/982446910.db2.gz ORTBTXCBYMXWNW-UHFFFAOYSA-N -1 0 240.690 2.137 20 30 BEEDRM C[C@@H](CN(CC#N)CC(=O)[O-])C1CCCCC1 ZINC001592592650 983178112 /nfs/dbraw/zinc/17/81/12/983178112.db2.gz MRSRIBJDMGNTEA-NSHDSACASA-N -1 0 238.331 2.113 20 30 BEEDRM C[C@H](CS[C@@H]1CC[C@H](C#N)C1)C(=O)[O-] ZINC001592825514 983212220 /nfs/dbraw/zinc/21/22/20/983212220.db2.gz XBPMKBDPXXKORF-HRDYMLBCSA-N -1 0 213.302 2.133 20 30 BEEDRM C#C[C@H](CC)OC(=O)c1ccc(C(=O)[O-])s1 ZINC001588369794 983317133 /nfs/dbraw/zinc/31/71/33/983317133.db2.gz WRAHQPHRKGHCKY-SSDOTTSWSA-N -1 0 238.264 2.015 20 30 BEEDRM C=C[C@@H](N[C@H](C(F)F)C1CCCCC1)C(=O)[O-] ZINC001588692884 983887282 /nfs/dbraw/zinc/88/72/82/983887282.db2.gz LVWXUYBZVURYGE-ZJUUUORDSA-N -1 0 247.285 2.429 20 30 BEEDRM C=C[C@@H](Sc1ncc(C)cc1C)C(=O)[O-] ZINC001588715031 983954707 /nfs/dbraw/zinc/95/47/07/983954707.db2.gz RZKZNCMJDBLYHE-SECBINFHSA-N -1 0 223.297 2.430 20 30 BEEDRM N#C[C@@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583896 1169374295 /nfs/dbraw/zinc/37/42/95/1169374295.db2.gz XVVHATZVMYGSFR-QMMMGPOBSA-N -1 0 238.237 2.016 20 30 BEEDRM C[C@@H]1C[C@H]1c1nnc(CCC(=O)C2=CC=C[CH]2)o1 ZINC001256692090 970926944 /nfs/dbraw/zinc/92/69/44/970926944.db2.gz QFWBAARTXDBFIK-MWLCHTKSSA-N -1 0 243.286 2.395 20 30 BEEDRM C=C(C)C[C@@H](OCC[P@@](=O)([O-])O)C(=C)C ZINC001224601027 973789299 /nfs/dbraw/zinc/78/92/99/973789299.db2.gz DBTMNYWIZDMBBI-SNVBAGLBSA-N -1 0 234.232 2.092 20 30 BEEDRM C=C[C@H](CCCCC)OCC[P@@](=O)([O-])O ZINC001224605755 973795253 /nfs/dbraw/zinc/79/52/53/973795253.db2.gz KFQWSZUAFYMBQT-SNVBAGLBSA-N -1 0 236.248 2.316 20 30 BEEDRM C[C@@H]1C[C@@H]1c1nnc(-c2ccc(C#N)cc2[O-])o1 ZINC001256771154 970982675 /nfs/dbraw/zinc/98/26/75/970982675.db2.gz DHNGXQCXLWFVCO-XCBNKYQSSA-N -1 0 241.250 2.437 20 30 BEEDRM C[C@@H]1C[C@@H]1c1nnc(-c2ccc([O-])c(C#N)c2)o1 ZINC001256760528 970982805 /nfs/dbraw/zinc/98/28/05/970982805.db2.gz IOPSLLKJJPKTJN-XCBNKYQSSA-N -1 0 241.250 2.437 20 30 BEEDRM COc1cccc([N-]c2nonc2C)c1C#N ZINC001210122244 1169519286 /nfs/dbraw/zinc/51/92/86/1169519286.db2.gz QYTHLVAELZCNMU-UHFFFAOYSA-N -1 0 230.227 2.002 20 30 BEEDRM Cc1cc(-c2cnc(C#N)nc2)cc(O)c1F ZINC001244518091 971321158 /nfs/dbraw/zinc/32/11/58/971321158.db2.gz QCACQSMQKLIRIS-UHFFFAOYSA-N -1 0 229.214 2.168 20 30 BEEDRM C=C[C@H](CC)Oc1ccc(S(=O)(=O)[O-])cc1 ZINC001225511614 1169591404 /nfs/dbraw/zinc/59/14/04/1169591404.db2.gz ACCLBMAFZGFPHC-SECBINFHSA-N -1 0 242.296 2.277 20 30 BEEDRM CSCCON=C(C)c1cc(C(=O)[O-])co1 ZINC000378678952 971570317 /nfs/dbraw/zinc/57/03/17/971570317.db2.gz SUGCEBOOFOKKOU-UHFFFAOYSA-N -1 0 243.284 2.081 20 30 BEEDRM C=C(C)CN(CC)C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000163868961 949401365 /nfs/dbraw/zinc/40/13/65/949401365.db2.gz SAHRONPADQGHBF-JTQLQIEISA-N -1 0 241.331 2.158 20 30 BEEDRM C=CC(C)(C)CNC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000385081182 951275760 /nfs/dbraw/zinc/27/57/60/951275760.db2.gz YQTACKSJDOFIEN-SECBINFHSA-N -1 0 241.331 2.062 20 30 BEEDRM CC#CCCSc1nc(C(=O)[O-])cs1 ZINC000382101639 971799888 /nfs/dbraw/zinc/79/98/88/971799888.db2.gz OMBIFLQODQTFPW-UHFFFAOYSA-N -1 0 227.310 2.347 20 30 BEEDRM CC(C)(C#N)CNCc1ccc(C(=O)[O-])s1 ZINC000706249441 954946672 /nfs/dbraw/zinc/94/66/72/954946672.db2.gz SLDHHDXGUNXNRL-UHFFFAOYSA-N -1 0 238.312 2.086 20 30 BEEDRM CCCc1cc(=O)n(Cc2cccc(C#N)c2)[n-]1 ZINC001245923021 972098414 /nfs/dbraw/zinc/09/84/14/972098414.db2.gz CVLZMDMMVKJLMY-UHFFFAOYSA-N -1 0 241.294 2.461 20 30 BEEDRM C=C[C@](C)(CC)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000909751814 957036729 /nfs/dbraw/zinc/03/67/29/957036729.db2.gz LBVXEFZCAHCZRD-CYBMUJFWSA-N -1 0 241.331 2.206 20 30 BEEDRM Cc1cc(C#N)ccc1N1CCC[C@H]1CC(=O)[O-] ZINC000042161927 957401205 /nfs/dbraw/zinc/40/12/05/957401205.db2.gz FGLNQAGYJDFHLT-LBPRGKRZSA-N -1 0 244.294 2.310 20 30 BEEDRM O=C([O-])c1ccc(C=NOC2CCC2)cc1 ZINC000390334309 972276816 /nfs/dbraw/zinc/27/68/16/972276816.db2.gz LHFQPCJLNGVDMM-UHFFFAOYSA-N -1 0 219.240 2.288 20 30 BEEDRM C[C@H](SCCC(C)(C)C#N)C(=O)[O-] ZINC000083636749 957829677 /nfs/dbraw/zinc/82/96/77/957829677.db2.gz FTSQOMMMKOTCEB-ZETCQYMHSA-N -1 0 201.291 2.133 20 30 BEEDRM C#Cc1nccnc1Nc1cccc([S-])c1 ZINC001210945890 957950872 /nfs/dbraw/zinc/95/08/72/957950872.db2.gz YKJVHRCEWTWWSO-UHFFFAOYSA-N -1 0 227.292 2.490 20 30 BEEDRM N#Cc1cncc(Nc2ccccc2C(=O)[O-])c1 ZINC001210969522 957963915 /nfs/dbraw/zinc/96/39/15/957963915.db2.gz MBAVYBYNBNTFRN-UHFFFAOYSA-N -1 0 239.234 2.395 20 30 BEEDRM C=C(C)CNC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000122863420 958488646 /nfs/dbraw/zinc/48/86/46/958488646.db2.gz VHGWYROIIJXODU-UHFFFAOYSA-N -1 0 248.282 2.391 20 30 BEEDRM Cc1cc(Nc2oncc2C#N)cc(C(=O)[O-])c1 ZINC001211537523 958823768 /nfs/dbraw/zinc/82/37/68/958823768.db2.gz NQJKOWQPCKPKRX-UHFFFAOYSA-N -1 0 243.222 2.297 20 30 BEEDRM CCCCCCCCNC(=O)C1(C(=O)[O-])CC1 ZINC000147288532 958998059 /nfs/dbraw/zinc/99/80/59/958998059.db2.gz DLCBYNLSMNWGLF-UHFFFAOYSA-N -1 0 241.331 2.328 20 30 BEEDRM C=C[C@H](C)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000159711592 959126434 /nfs/dbraw/zinc/12/64/34/959126434.db2.gz AEESBEDLOLGBNW-JTQLQIEISA-N -1 0 239.315 2.102 20 30 BEEDRM CC#CCCOc1ccc(CC(=O)[O-])cc1 ZINC000161019515 959164313 /nfs/dbraw/zinc/16/43/13/959164313.db2.gz VTWZPSCYHCLWPG-UHFFFAOYSA-N -1 0 218.252 2.106 20 30 BEEDRM C=CCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000161991495 959202505 /nfs/dbraw/zinc/20/25/05/959202505.db2.gz UZVWNEWWMVLZKS-UHFFFAOYSA-N -1 0 236.227 2.281 20 30 BEEDRM 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/nfs/dbraw/zinc/71/17/43/587711743.db2.gz OCIJYPKGTTYNRZ-UHFFFAOYSA-N -1 0 231.295 2.484 20 30 BEEDRM CC#CCNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000833380839 587712043 /nfs/dbraw/zinc/71/20/43/587712043.db2.gz QGLSJORSEJMAGI-UHFFFAOYSA-N -1 0 223.659 2.473 20 30 BEEDRM C[C@]1(C#N)CCCN(Cc2occc2C(=O)[O-])C1 ZINC000833551522 587719557 /nfs/dbraw/zinc/71/95/57/587719557.db2.gz NTHXNLHCGZZXQM-CYBMUJFWSA-N -1 0 248.282 2.103 20 30 BEEDRM Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)[O-])n1 ZINC000001917629 587728104 /nfs/dbraw/zinc/72/81/04/587728104.db2.gz ZJCHMPMIGDJQDU-QMMMGPOBSA-N -1 0 236.296 2.135 20 30 BEEDRM N#CCC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833969278 587740577 /nfs/dbraw/zinc/74/05/77/587740577.db2.gz UJDFJGCOTBPHBQ-SNVBAGLBSA-N -1 0 204.229 2.299 20 30 BEEDRM N#CCN(Cc1cccc(NC(=O)[O-])c1)C1CC1 ZINC000833967993 587740852 /nfs/dbraw/zinc/74/08/52/587740852.db2.gz WFNSJPQJPYNSST-UHFFFAOYSA-N -1 0 245.282 2.264 20 30 BEEDRM O=C([O-])N1CCC(=NOC2CCCC2)CC1 ZINC000834071108 587743929 /nfs/dbraw/zinc/74/39/29/587743929.db2.gz NFQAHKLIJDINKB-UHFFFAOYSA-N -1 0 226.276 2.075 20 30 BEEDRM O=C([O-])N1CCC[C@@H](C=NOC2CCCC2)C1 ZINC000834097844 587745056 /nfs/dbraw/zinc/74/50/56/587745056.db2.gz FMNVBCOVPGCONJ-JTQLQIEISA-N -1 0 240.303 2.321 20 30 BEEDRM CCC(N=Nc1nc(C)cc(=O)[n-]1)C1CCC1 ZINC000834911600 587770398 /nfs/dbraw/zinc/77/03/98/587770398.db2.gz DSIPGRDAOZCAPF-UHFFFAOYSA-N -1 0 234.303 2.469 20 30 BEEDRM Cc1nnc(N=NC2C[C@H](C)CC[C@H]2C)[n-]c1=O ZINC000834926075 587771300 /nfs/dbraw/zinc/77/13/00/587771300.db2.gz WHPISMBRROHDTQ-HTQZYQBOSA-N -1 0 249.318 2.110 20 30 BEEDRM CC(C)ON=C1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC000835001732 587777150 /nfs/dbraw/zinc/77/71/50/587777150.db2.gz JGYAYAYKYOUECC-DTWKUNHWSA-N -1 0 213.277 2.288 20 30 BEEDRM C=CCO[N-]C(=O)C1(c2ccccc2)CCC1 ZINC000837043246 587848645 /nfs/dbraw/zinc/84/86/45/587848645.db2.gz MRRNHAODEUEWQO-UHFFFAOYSA-N -1 0 231.295 2.342 20 30 BEEDRM C=CCO[N-]C(=O)[C@@H]1CCCc2ccccc21 ZINC000837043687 587849199 /nfs/dbraw/zinc/84/91/99/587849199.db2.gz RUDSKUJRZYTODT-CYBMUJFWSA-N -1 0 231.295 2.340 20 30 BEEDRM C=CCO[N-]C(=O)COc1ccc(C(C)C)cc1 ZINC000837043995 587849241 /nfs/dbraw/zinc/84/92/41/587849241.db2.gz IPTHNPLEGJJGMR-UHFFFAOYSA-N -1 0 249.310 2.423 20 30 BEEDRM C=CCO[N-]C(=O)CSc1ccc(C)cc1 ZINC000837044785 587849488 /nfs/dbraw/zinc/84/94/88/587849488.db2.gz SJYAFTAECVLSGH-UHFFFAOYSA-N -1 0 237.324 2.321 20 30 BEEDRM C=CCO[N-]C(=O)[C@H](CC)c1c(C)noc1C ZINC000837047046 587850385 /nfs/dbraw/zinc/85/03/85/587850385.db2.gz VNXVCGIJPWCKQW-SNVBAGLBSA-N -1 0 238.287 2.019 20 30 BEEDRM C=CCO[N-]C(=O)C(C)(C)c1ccc(F)cc1 ZINC000837047231 587850409 /nfs/dbraw/zinc/85/04/09/587850409.db2.gz ZHHPOLQZKQLQEV-UHFFFAOYSA-N -1 0 237.274 2.337 20 30 BEEDRM C=CCO[N-]C(=O)[C@H](C)c1cccs1 ZINC000837047184 587850496 /nfs/dbraw/zinc/85/04/96/587850496.db2.gz BEORSAZTFSUTCO-MRVPVSSYSA-N -1 0 211.286 2.085 20 30 BEEDRM C=CCO[N-]C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000837048351 587851887 /nfs/dbraw/zinc/85/18/87/587851887.db2.gz ONQRVORYNHYAOW-GFCCVEGCSA-N -1 0 247.294 2.046 20 30 BEEDRM C=CCO[N-]C(=O)[C@@H](c1cccnc1)C(C)C ZINC000837049950 587852018 /nfs/dbraw/zinc/85/20/18/587852018.db2.gz UEUQKONUCZRLQN-GFCCVEGCSA-N -1 0 234.299 2.055 20 30 BEEDRM C=CCO[N-]C(=O)C1(C(F)F)CCCC1 ZINC000837049369 587852218 /nfs/dbraw/zinc/85/22/18/587852218.db2.gz GIUFNVVKKCDFKR-UHFFFAOYSA-N -1 0 219.231 2.046 20 30 BEEDRM CC1(C)CC(N=Nc2cccc(C(=O)[O-])c2)CO1 ZINC000841602175 587959313 /nfs/dbraw/zinc/95/93/13/587959313.db2.gz DGRIXDAXHHNRHH-UHFFFAOYSA-N -1 0 248.282 2.352 20 30 BEEDRM CCC(=NN[C@@H](CC)C(=O)[O-])[C@H]1CC1(C)C ZINC000841642331 587966096 /nfs/dbraw/zinc/96/60/96/587966096.db2.gz NXSWWHDXMWPBAY-SCZZXKLOSA-N -1 0 226.320 2.251 20 30 BEEDRM CCC(=NNC1CCC(F)(F)CC1)C(=O)[O-] ZINC000842534194 588035215 /nfs/dbraw/zinc/03/52/15/588035215.db2.gz WOEQMBQTKDCGAG-QMMMGPOBSA-N -1 0 234.246 2.005 20 30 BEEDRM CCCON=C1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC000842551050 588041643 /nfs/dbraw/zinc/04/16/43/588041643.db2.gz NIEANHZADIWESD-IUCAKERBSA-N -1 0 213.277 2.290 20 30 BEEDRM CCCON=C(C)c1cc(C(=O)[O-])ccc1O ZINC000842555215 588042187 /nfs/dbraw/zinc/04/21/87/588042187.db2.gz ANCDTKQLFFLMNK-UHFFFAOYSA-N -1 0 237.255 2.241 20 30 BEEDRM CCCON=Cc1cc(F)c([O-])c(F)c1 ZINC000842558436 588042494 /nfs/dbraw/zinc/04/24/94/588042494.db2.gz XRILBLPQVSURBB-UHFFFAOYSA-N -1 0 215.199 2.431 20 30 BEEDRM CCCC[C@@H](ON=C(C)C)C(=O)[N-]OCCC ZINC000844085283 588163867 /nfs/dbraw/zinc/16/38/67/588163867.db2.gz LTIVKCUKBBPTLL-LLVKDONJSA-N -1 0 244.335 2.415 20 30 BEEDRM Cc1nnc(N=NC2CCCCC[C@H]2C)[n-]c1=O ZINC000844565797 588203316 /nfs/dbraw/zinc/20/33/16/588203316.db2.gz OTASYACERMHVLI-MRVPVSSYSA-N -1 0 249.318 2.254 20 30 BEEDRM C=C[C@H](C)ON=C1CC[C@H](C(=O)[O-])C[C@H]1C ZINC000844621027 588209292 /nfs/dbraw/zinc/20/92/92/588209292.db2.gz UGNWAXLOICLJED-UTLUCORTSA-N -1 0 225.288 2.454 20 30 BEEDRM C=C(C)CO[N-]C(=O)[C@@H]1CCCc2cccnc21 ZINC000846534999 588271099 /nfs/dbraw/zinc/27/10/99/588271099.db2.gz LZOFURWPAVRYMB-GFCCVEGCSA-N -1 0 246.310 2.125 20 30 BEEDRM C=C(C)CO[N-]C(=O)CNc1c(C)cccc1C ZINC000846537001 588271839 /nfs/dbraw/zinc/27/18/39/588271839.db2.gz FJOKVDVKWJVPPL-UHFFFAOYSA-N -1 0 248.326 2.339 20 30 BEEDRM C=C(C)CO[N-]C(=O)[C@H](C)Oc1ccc(C)cc1 ZINC000846540778 588272850 /nfs/dbraw/zinc/27/28/50/588272850.db2.gz JVXPWSUKBXJLMG-LBPRGKRZSA-N -1 0 249.310 2.386 20 30 BEEDRM C=C(C)CO[N-]C(=O)[C@H](C)Oc1cccc(C)c1 ZINC000846541366 588272866 /nfs/dbraw/zinc/27/28/66/588272866.db2.gz UTCNDDSCELTFKI-LBPRGKRZSA-N -1 0 249.310 2.386 20 30 BEEDRM C=C[C@H](C)O[N-]C(=O)[C@H]1CCOc2ccccc21 ZINC000846543816 588273306 /nfs/dbraw/zinc/27/33/06/588273306.db2.gz CKAMCOKCBMFMSZ-JQWIXIFHSA-N -1 0 247.294 2.175 20 30 BEEDRM C=C[C@H](C)O[N-]C(=O)C1(c2ccccc2F)CC1 ZINC000846545053 588273784 /nfs/dbraw/zinc/27/37/84/588273784.db2.gz LSUSKMNXIQNBOW-JTQLQIEISA-N -1 0 249.285 2.480 20 30 BEEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](C)c1ccco1 ZINC000846545570 588273789 /nfs/dbraw/zinc/27/37/89/588273789.db2.gz HMZVEXPGZNDHOT-RKDXNWHRSA-N -1 0 209.245 2.005 20 30 BEEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H](C)c1cccs1 ZINC000846546167 588274230 /nfs/dbraw/zinc/27/42/30/588274230.db2.gz SLZYFBGUZFSPPX-BDAKNGLRSA-N -1 0 225.313 2.474 20 30 BEEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](C)c1ccc(C)o1 ZINC000846547120 588274530 /nfs/dbraw/zinc/27/45/30/588274530.db2.gz NOLHVIWTDYUBSJ-PSASIEDQSA-N -1 0 223.272 2.314 20 30 BEEDRM C=C[C@H](C)O[N-]C(=O)[C@H](C)c1ccc(C)o1 ZINC000846547132 588274582 /nfs/dbraw/zinc/27/45/82/588274582.db2.gz NOLHVIWTDYUBSJ-WCBMZHEXSA-N -1 0 223.272 2.314 20 30 BEEDRM C=C[C@H](C)O[N-]C(=O)[C@H](SCC)C(C)C ZINC000846550580 588275426 /nfs/dbraw/zinc/27/54/26/588275426.db2.gz NUXWPTLRUBTITC-VHSXEESVSA-N -1 0 231.361 2.386 20 30 BEEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](CC)Nc1ccccc1 ZINC000846551738 588275732 /nfs/dbraw/zinc/27/57/32/588275732.db2.gz WQZIDFHRFBJWQK-YPMHNXCESA-N -1 0 248.326 2.499 20 30 BEEDRM C=C[C@H](C)O[N-]C(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000846555016 588276791 /nfs/dbraw/zinc/27/67/91/588276791.db2.gz PZKMIQGDRSTLEJ-SUHUHFCYSA-N -1 0 249.285 2.494 20 30 BEEDRM C=C[C@H](C)O[N-]C(=O)C(C)(C)C(C)(F)F ZINC000846555556 588277128 /nfs/dbraw/zinc/27/71/28/588277128.db2.gz WHZUCFJNLUGWOW-ZETCQYMHSA-N -1 0 221.247 2.290 20 30 BEEDRM CCCCCCCC(=O)NC[C@H](C)C(=O)[O-] ZINC000107607874 588386510 /nfs/dbraw/zinc/38/65/10/588386510.db2.gz NMXVWZMRVLGPDL-JTQLQIEISA-N -1 0 229.320 2.184 20 30 BEEDRM C=CCN(CC(=O)[O-])C(=O)CCCCCCC ZINC000118529292 589177092 /nfs/dbraw/zinc/17/70/92/589177092.db2.gz IKRZKAGPRKJXEZ-UHFFFAOYSA-N -1 0 241.331 2.446 20 30 BEEDRM CC[C@H](C)CO[N-]C(=O)C(C#N)(CC)CC ZINC000861808054 589178971 /nfs/dbraw/zinc/17/89/71/589178971.db2.gz FGLSIXMMTKAGDC-JTQLQIEISA-N -1 0 226.320 2.410 20 30 BEEDRM CCC(=NNCC(=O)[O-])c1cc(C)ccc1C ZINC000863116921 589259702 /nfs/dbraw/zinc/25/97/02/589259702.db2.gz CNHIKZCFGFZWLE-UHFFFAOYSA-N -1 0 234.299 2.092 20 30 BEEDRM CC(C)(F)C/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000864347649 589354733 /nfs/dbraw/zinc/35/47/33/589354733.db2.gz VLHDENTWJBMPDW-MLPAPPSSSA-N -1 0 240.234 2.467 20 30 BEEDRM N#CC1(C(=O)[N-]OC2CCCCC2)CC2(CC2)C1 ZINC000867547785 589525269 /nfs/dbraw/zinc/52/52/69/589525269.db2.gz JBLPVWGBXSFVKR-UHFFFAOYSA-N -1 0 248.326 2.451 20 30 BEEDRM C=C(C)CO[N-]C(=O)C(C)(C)[C@H]1CCCCO1 ZINC000869152846 589590362 /nfs/dbraw/zinc/59/03/62/589590362.db2.gz IYAMWRTWVVUHIB-LLVKDONJSA-N -1 0 241.331 2.206 20 30 BEEDRM C=C[C@H](C)O[N-]C(=O)C1(C(F)F)CCC1 ZINC000869154207 589590897 /nfs/dbraw/zinc/59/08/97/589590897.db2.gz OJLLGGBNOPDYDP-ZETCQYMHSA-N -1 0 219.231 2.044 20 30 BEEDRM C=CCCO[N-]C(=O)[C@@H](OCC)C1CCCC1 ZINC000869282433 589595701 /nfs/dbraw/zinc/59/57/01/589595701.db2.gz LVCXHFMUKVVSSZ-LBPRGKRZSA-N -1 0 241.331 2.206 20 30 BEEDRM C[C@H](CC(=O)NOc1cccc(C#N)c1)C1CC1 ZINC000870692526 589684874 /nfs/dbraw/zinc/68/48/74/589684874.db2.gz HDLKILRAGJRFLA-SNVBAGLBSA-N -1 0 244.294 2.404 20 30 BEEDRM C[C@H](CC#N)N(C)Cc1ccccc1CC(=O)[O-] ZINC000123480194 589721283 /nfs/dbraw/zinc/72/12/83/589721283.db2.gz JWIMWINAVBPLEN-LLVKDONJSA-N -1 0 246.310 2.048 20 30 BEEDRM [O-]c1c(Cl)cccc1C=NN1CCC1 ZINC000872396430 589933127 /nfs/dbraw/zinc/93/31/27/589933127.db2.gz HLLSQZKWFLZLEY-UHFFFAOYSA-N -1 0 210.664 2.085 20 30 BEEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NN1CCC1 ZINC000872398025 589934400 /nfs/dbraw/zinc/93/44/00/589934400.db2.gz ARRWCMROAFUGJY-UHFFFAOYSA-N -1 0 232.283 2.041 20 30 BEEDRM C=C(C)C[C@H](NC(=O)[C@H](CC)CCC)C(=O)[O-] ZINC000872741142 589966377 /nfs/dbraw/zinc/96/63/77/589966377.db2.gz YDJZEFGZWAWKCT-MNOVXSKESA-N -1 0 241.331 2.348 20 30 BEEDRM Cc1nnc(N=NC2CCC[C@@H](C)CC2)[n-]c1=O ZINC000884388564 591921691 /nfs/dbraw/zinc/92/16/91/591921691.db2.gz ZEHLAWWLEVLOFU-MRVPVSSYSA-N -1 0 249.318 2.254 20 30 BEEDRM CCCC[C@H]1CCCC1=NNCCC(=O)[O-] ZINC000820310711 597741441 /nfs/dbraw/zinc/74/14/41/597741441.db2.gz ARHDAEKWZDJOSD-JTQLQIEISA-N -1 0 226.320 2.397 20 30 BEEDRM N#CCN(CCCCC(=O)[O-])C1CCCC1 ZINC000738427215 597781924 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588039588 /nfs/dbraw/zinc/03/95/88/588039588.db2.gz ZGYSYLDKLQZZNF-CUYBNKCWSA-N -1 0 236.315 2.005 20 30 BEEDRM CCCON=C1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC000842551049 588041661 /nfs/dbraw/zinc/04/16/61/588041661.db2.gz NIEANHZADIWESD-DTWKUNHWSA-N -1 0 213.277 2.290 20 30 BEEDRM C[C@H]1OCC(N=Nc2ccc(C(=O)[O-])cc2)[C@H]1C ZINC000844563149 588202628 /nfs/dbraw/zinc/20/26/28/588202628.db2.gz MWSIIJXHAJXXCO-DTWKUNHWSA-N -1 0 248.282 2.208 20 30 BEEDRM C[C@@H]1OCC(N=Nc2ccc(C(=O)[O-])cc2)[C@@H]1C ZINC000844563146 588202736 /nfs/dbraw/zinc/20/27/36/588202736.db2.gz MWSIIJXHAJXXCO-BDAKNGLRSA-N -1 0 248.282 2.208 20 30 BEEDRM C=C(C)CO[N-]C(=O)C1(C(F)F)CCCC1 ZINC000846533296 588270264 /nfs/dbraw/zinc/27/02/64/588270264.db2.gz GKZDPPNUTUANIN-UHFFFAOYSA-N -1 0 233.258 2.436 20 30 BEEDRM C=C(C)CO[N-]C(=O)[C@@H]1CCCCC1(F)F ZINC000846533854 588270467 /nfs/dbraw/zinc/27/04/67/588270467.db2.gz GFWQUMMPHCRJDJ-VIFPVBQESA-N -1 0 233.258 2.436 20 30 BEEDRM C=C(C)CO[N-]C(=O)CO[C@@H]1CCCC[C@H]1C ZINC000846538897 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CCC(C#N)(CC)C(=O)[N-]OC/C=C/Cl ZINC000861783448 589178224 /nfs/dbraw/zinc/17/82/24/589178224.db2.gz WJQNMHPKLJRTDG-AATRIKPKSA-N -1 0 230.695 2.117 20 30 BEEDRM CC[C@@H](C)CO[N-]C(=O)C(C#N)(CC)CC ZINC000861808056 589178703 /nfs/dbraw/zinc/17/87/03/589178703.db2.gz FGLSIXMMTKAGDC-SNVBAGLBSA-N -1 0 226.320 2.410 20 30 BEEDRM C=C(Cl)C[C@H](NC(=O)C[C@H](C)CC)C(=O)[O-] ZINC000864186099 589347202 /nfs/dbraw/zinc/34/72/02/589347202.db2.gz IVZZPRMWRLFZFW-APPZFPTMSA-N -1 0 247.722 2.135 20 30 BEEDRM C=C(C)C[C@@H](NC(=O)/C=C/C(C)(C)C)C(=O)[O-] ZINC000864188178 589347211 /nfs/dbraw/zinc/34/72/11/589347211.db2.gz QXUQDFMZMOCQBJ-VQCYPWCPSA-N -1 0 239.315 2.124 20 30 BEEDRM C=C(Cl)C[C@@H](NC(=O)C[C@@H](C)CC)C(=O)[O-] ZINC000864186101 589347253 /nfs/dbraw/zinc/34/72/53/589347253.db2.gz IVZZPRMWRLFZFW-IONNQARKSA-N -1 0 247.722 2.135 20 30 BEEDRM C=C(Cl)C[C@@H](NC(=O)CCC(C)C)C(=O)[O-] ZINC000864184708 589347354 /nfs/dbraw/zinc/34/73/54/589347354.db2.gz QHMUYAVIUXPEBC-SECBINFHSA-N -1 0 247.722 2.135 20 30 BEEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[O-] ZINC000831069941 603690515 /nfs/dbraw/zinc/69/05/15/603690515.db2.gz AVUBEQFMRGEOJF-NEPJUHHUSA-N -1 0 230.267 2.436 20 30 BEEDRM CC1CC(C#N)(C(=O)[N-]Oc2ccccc2F)C1 ZINC000874911035 590154669 /nfs/dbraw/zinc/15/46/69/590154669.db2.gz DUQOTRDBCIZGRX-UHFFFAOYSA-N -1 0 248.257 2.176 20 30 BEEDRM CC(=NNC1CCCC1)c1cncc(C(=O)[O-])c1 ZINC000884426674 591930523 /nfs/dbraw/zinc/93/05/23/591930523.db2.gz TWZRFWJRGQXMBJ-UHFFFAOYSA-N -1 0 247.298 2.036 20 30 BEEDRM COCCCON=Cc1ccc([O-])c(F)c1F ZINC000884468973 591943991 /nfs/dbraw/zinc/94/39/91/591943991.db2.gz RNVFZCRITFHBSL-UHFFFAOYSA-N -1 0 245.225 2.057 20 30 BEEDRM CC[C@H](NN=C1CCC[C@H](C)CC1)C(=O)[O-] ZINC000884471263 591945211 /nfs/dbraw/zinc/94/52/11/591945211.db2.gz PXQBXJADSRRJQV-ONGXEEELSA-N -1 0 226.320 2.395 20 30 BEEDRM C=CCNC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000134688091 591948169 /nfs/dbraw/zinc/94/81/69/591948169.db2.gz BSZFNNQGNKSXHZ-UHFFFAOYSA-N -1 0 248.282 2.011 20 30 BEEDRM C=C(C)CN(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000135307996 592004093 /nfs/dbraw/zinc/00/40/93/592004093.db2.gz QRSGXYFAWHNTPK-UHFFFAOYSA-N -1 0 248.282 2.425 20 30 BEEDRM N#Cc1cc(F)ccc1CSCC(=O)[O-] ZINC000070917119 599890892 /nfs/dbraw/zinc/89/08/92/599890892.db2.gz ZBJSVMIABQGMLP-UHFFFAOYSA-N -1 0 225.244 2.015 20 30 BEEDRM CCCCCCCOC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000736984370 600168698 /nfs/dbraw/zinc/16/86/98/600168698.db2.gz YKVLJIGHZNVRNW-ZJUUUORDSA-N -1 0 228.288 2.221 20 30 BEEDRM Cc1oc(C(=O)[O-])cc1CON=C1CCC1 ZINC000738966480 600397840 /nfs/dbraw/zinc/39/78/40/600397840.db2.gz VHCFLICTCNLSKC-UHFFFAOYSA-N -1 0 223.228 2.343 20 30 BEEDRM C=CCCCN1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000736102729 600399273 /nfs/dbraw/zinc/39/92/73/600399273.db2.gz UWXNJZYEZCLUAZ-ZDUSSCGKSA-N -1 0 247.294 2.305 20 30 BEEDRM N#C[C@H](SCC(=O)[O-])C1CCCCC1 ZINC000738422893 600581478 /nfs/dbraw/zinc/58/14/78/600581478.db2.gz NAVDFXWEHAEZMX-VIFPVBQESA-N -1 0 213.302 2.277 20 30 BEEDRM C=C(Br)CS[C@H](C)CC(=O)[O-] ZINC000085157104 600582360 /nfs/dbraw/zinc/58/23/60/600582360.db2.gz REGVDNZMCHSBTL-ZCFIWIBFSA-N -1 0 239.134 2.491 20 30 BEEDRM C=CCCOc1cc(OC)ccc1C(=O)[O-] ZINC000070590943 600709435 /nfs/dbraw/zinc/70/94/35/600709435.db2.gz LFEWJSHQKIFVMP-UHFFFAOYSA-N -1 0 222.240 2.348 20 30 BEEDRM C=CCCNc1ccc(CNC(=O)[O-])cc1 ZINC000736102536 600710721 /nfs/dbraw/zinc/71/07/21/600710721.db2.gz NTVRLIGHOOSUKA-UHFFFAOYSA-N -1 0 220.272 2.442 20 30 BEEDRM CC(C)CN(CC(=O)[O-])c1ccc(C#N)cc1 ZINC000062742678 600950783 /nfs/dbraw/zinc/95/07/83/600950783.db2.gz CEBQANDBPBLTNB-UHFFFAOYSA-N -1 0 232.283 2.105 20 30 BEEDRM C=CCCCOC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000825671048 601189365 /nfs/dbraw/zinc/18/93/65/601189365.db2.gz BJOKIHXUUJAGBO-WDEREUQCSA-N -1 0 240.299 2.387 20 30 BEEDRM O=C([O-])c1ccc(C=NOCC2CC2)cc1 ZINC000381627245 601955009 /nfs/dbraw/zinc/95/50/09/601955009.db2.gz MEGUSTJPWIXZGT-UHFFFAOYSA-N -1 0 219.240 2.145 20 30 BEEDRM C=CCN1CCN(C(=O)[O-])Cc2ccccc21 ZINC000738492533 602254482 /nfs/dbraw/zinc/25/44/82/602254482.db2.gz SYFBFSBNEDKETG-UHFFFAOYSA-N -1 0 232.283 2.173 20 30 BEEDRM Cc1oc(C(=O)[O-])cc1CN(C)[C@@H](C)CC#N ZINC000063087213 602327531 /nfs/dbraw/zinc/32/75/31/602327531.db2.gz CAJVKXUCBYIBGD-QMMMGPOBSA-N -1 0 236.271 2.020 20 30 BEEDRM C=CCCC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000224827772 602395954 /nfs/dbraw/zinc/39/59/54/602395954.db2.gz SRROUUASYNEBHQ-UHFFFAOYSA-N -1 0 237.230 2.429 20 30 BEEDRM C=CCNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738494333 602601987 /nfs/dbraw/zinc/60/19/87/602601987.db2.gz ANAGLKFOLDRRKA-UHFFFAOYSA-N -1 0 235.243 2.084 20 30 BEEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)[O-] ZINC000738490458 602667733 /nfs/dbraw/zinc/66/77/33/602667733.db2.gz UJPVSXJWSHMYJJ-UHFFFAOYSA-N -1 0 221.256 2.361 20 30 BEEDRM C=CCCCOC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000738492502 603028707 /nfs/dbraw/zinc/02/87/07/603028707.db2.gz FXAWJEZHQGGTEX-JTQLQIEISA-N -1 0 241.287 2.028 20 30 BEEDRM CCC(CC)NN=C1CCC(NC(=O)[O-])CC1 ZINC000739253872 603396121 /nfs/dbraw/zinc/39/61/21/603396121.db2.gz MMZJRKKSJLCIRB-UHFFFAOYSA-N -1 0 241.335 2.331 20 30 BEEDRM CC(C)C(C)N=Nc1ccc(C(=O)[O-])cn1 ZINC000393759283 604666149 /nfs/dbraw/zinc/66/61/49/604666149.db2.gz ZBPJUBAFFBWFSA-UHFFFAOYSA-N -1 0 221.260 2.224 20 30 BEEDRM C#CCCOc1ccc(Cl)cc1C(=O)[O-] ZINC000042393192 604905646 /nfs/dbraw/zinc/90/56/46/604905646.db2.gz SWYWKWCMZGTCLS-UHFFFAOYSA-N -1 0 224.643 2.440 20 30 BEEDRM C[C@@H]1C[C@@H]1CN=Nc1ccccc1C(=O)[O-] ZINC000381255742 605097981 /nfs/dbraw/zinc/09/79/81/605097981.db2.gz QRTZNBCSMTWOOY-RKDXNWHRSA-N -1 0 218.256 2.439 20 30 BEEDRM O=C([O-])c1ccccc1NN=Cc1ccncc1 ZINC000725397704 605098092 /nfs/dbraw/zinc/09/80/92/605098092.db2.gz BVBGBIKEYIPEHH-UHFFFAOYSA-N -1 0 241.250 2.226 20 30 BEEDRM C#CCCCOc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000236461899 605148910 /nfs/dbraw/zinc/14/89/10/605148910.db2.gz CHTXKUSORIJGNM-UHFFFAOYSA-N -1 0 249.222 2.085 20 30 BEEDRM C#CCCCN1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000133877772 605209104 /nfs/dbraw/zinc/20/91/04/605209104.db2.gz GPBDSQZJLITRAX-CYBMUJFWSA-N -1 0 243.306 2.478 20 30 BEEDRM N#CCCCOC(=O)c1ccccc1NC(=O)[O-] ZINC000739073705 605723520 /nfs/dbraw/zinc/72/35/20/605723520.db2.gz ZSVWNCSQZLHJLQ-UHFFFAOYSA-N -1 0 248.238 2.237 20 30 BEEDRM O=C([O-])N[C@@H]1CCCC1=NOCc1ccccc1 ZINC000834167255 605857955 /nfs/dbraw/zinc/85/79/55/605857955.db2.gz BIJAKUUNNKPMCE-LLVKDONJSA-N -1 0 248.282 2.379 20 30 BEEDRM CC(C)(C#N)COC(=O)c1cccc(C(=O)[O-])c1 ZINC000819901511 605907408 /nfs/dbraw/zinc/90/74/08/605907408.db2.gz HSMITGZUNWSPIO-UHFFFAOYSA-N -1 0 247.250 2.091 20 30 BEEDRM O=C([O-])Nc1ncccc1C=NNC1CCCC1 ZINC000834283537 605956364 /nfs/dbraw/zinc/95/63/64/605956364.db2.gz QIIYGCXQXFLXQS-UHFFFAOYSA-N -1 0 248.286 2.038 20 30 BEEDRM O=C([O-])NC1(C/N=C/c2ccccc2O)CCC1 ZINC000834155297 606071529 /nfs/dbraw/zinc/07/15/29/606071529.db2.gz VDHQRHXNNZCXOW-RIYZIHGNSA-N -1 0 248.282 2.001 20 30 BEEDRM O=C([O-])c1csc(C=NOCC(F)F)c1 ZINC000308835878 631676262 /nfs/dbraw/zinc/67/62/62/631676262.db2.gz ICTSQLRNBSNZSP-UHFFFAOYSA-N -1 0 235.211 2.062 20 30 BEEDRM CC[C@@H](NN=C1CCC[C@H](C)C1)C(=O)[O-] ZINC000308840477 631689992 /nfs/dbraw/zinc/68/99/92/631689992.db2.gz JWAJYRPWMSWYCR-WCBMZHEXSA-N -1 0 212.293 2.005 20 30 BEEDRM CC[C@@H](NN=C1CCCCCC1)C(=O)[O-] ZINC000308895451 631716240 /nfs/dbraw/zinc/71/62/40/631716240.db2.gz ZGJGTLUFMKWTRI-SNVBAGLBSA-N -1 0 212.293 2.149 20 30 BEEDRM CC[C@H](NN=C1CCC[C@@H](CC)C1)C(=O)[O-] ZINC000309394791 632022898 /nfs/dbraw/zinc/02/28/98/632022898.db2.gz VCXCYXOIIHGUIJ-KOLCDFICSA-N -1 0 226.320 2.395 20 30 BEEDRM Oc1c(C=Nn2cnnc2)ccc2ccccc12 ZINC000254428369 635724096 /nfs/dbraw/zinc/72/40/96/635724096.db2.gz IHSUCLMPIZDMBY-UHFFFAOYSA-N -1 0 238.250 2.019 20 30 BEEDRM N#C[C@@H]([N-]C(=O)C(F)(F)F)c1ccc(F)cc1 ZINC000259934804 632530878 /nfs/dbraw/zinc/53/08/78/632530878.db2.gz MPPWYOXEPDKTCH-MRVPVSSYSA-N -1 0 246.163 2.069 20 30 BEEDRM CSCCON=Cc1ccccc1C(=O)[O-] ZINC000309710909 632656284 /nfs/dbraw/zinc/65/62/84/632656284.db2.gz XCQBVHCAMGXYCY-UHFFFAOYSA-N -1 0 239.296 2.098 20 30 BEEDRM O=C(/C=C\c1cncs1)c1ccc(O)cc1[O-] ZINC000255767970 632722442 /nfs/dbraw/zinc/72/24/42/632722442.db2.gz CXKMWWAWTQAJPU-RQOWECAXSA-N -1 0 247.275 2.450 20 30 BEEDRM CC(=CC(=O)[N-]S(C)(=O)=O)c1ccccc1 ZINC000048619213 635878663 /nfs/dbraw/zinc/87/86/63/635878663.db2.gz GFTJKJFKZWNPRJ-CMDGGOBGSA-N -1 0 239.296 2.006 20 30 BEEDRM CCC(=NOC)c1cc(C(=O)[O-])ccc1F ZINC000309689228 633228024 /nfs/dbraw/zinc/22/80/24/633228024.db2.gz PBUQWPXVJVZJET-UHFFFAOYSA-N -1 0 225.219 2.284 20 30 BEEDRM C=CCCCCNc1ncc(C(=O)[O-])c(C)n1 ZINC000310405886 635970089 /nfs/dbraw/zinc/97/00/89/635970089.db2.gz VQYSPFMZIHVOBN-UHFFFAOYSA-N -1 0 235.287 2.251 20 30 BEEDRM O=C([O-])c1ccccc1C=NOC/C=C\Cl ZINC000309644724 633982188 /nfs/dbraw/zinc/98/21/88/633982188.db2.gz VRHWEZWRMQKDEV-MWOOOQDBSA-N -1 0 239.658 2.488 20 30 BEEDRM CCC(=NNCc1cccc(Cl)c1)C(=O)[O-] ZINC000309807014 634014380 /nfs/dbraw/zinc/01/43/80/634014380.db2.gz XYKOTYUCYGJAGM-SNVBAGLBSA-N -1 0 240.690 2.127 20 30 BEEDRM C#CCCCC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000909331439 634342683 /nfs/dbraw/zinc/34/26/83/634342683.db2.gz IPTPVCXFFNJJCU-UHFFFAOYSA-N -1 0 245.278 2.056 20 30 BEEDRM C=C[C@](C)(CC)C(=O)N[C@H](CCCC)C(=O)[O-] ZINC000909507180 636124500 /nfs/dbraw/zinc/12/45/00/636124500.db2.gz VONBCSXSKOMNQM-ZWNOBZJWSA-N -1 0 241.331 2.348 20 30 BEEDRM Cc1cc(C#N)nc(NCCCCCC(=O)[O-])c1 ZINC000900951356 637213150 /nfs/dbraw/zinc/21/31/50/637213150.db2.gz QETTYEVYUJGTAK-UHFFFAOYSA-N -1 0 247.298 2.319 20 30 BEEDRM C=C[C@@H](CC)CC(=O)N[C@@](C)(CCC)C(=O)[O-] ZINC000907572746 638407259 /nfs/dbraw/zinc/40/72/59/638407259.db2.gz NUHQXJDWGBWHAE-GWCFXTLKSA-N -1 0 241.331 2.348 20 30 BEEDRM C=C[C@H](CC)CC(=O)N(CC(=O)[O-])[C@@H](C)CC ZINC000907605522 638420320 /nfs/dbraw/zinc/42/03/20/638420320.db2.gz WVILJGDLDJGTGF-WDEREUQCSA-N -1 0 241.331 2.300 20 30 BEEDRM C=C[C@@H](CC)CC(=O)N[C@@H](CC(=C)C)C(=O)[O-] ZINC000907743160 638454662 /nfs/dbraw/zinc/45/46/62/638454662.db2.gz GVRQZFPBPDMBNV-QWRGUYRKSA-N -1 0 239.315 2.124 20 30 BEEDRM C=CC(C)(C)NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000908350932 638661514 /nfs/dbraw/zinc/66/15/14/638661514.db2.gz AZSCPNJVSRFUNG-UHFFFAOYSA-N -1 0 247.294 2.388 20 30 BEEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)[N-]OC[C@@H](C)CC ZINC000908350728 638662357 /nfs/dbraw/zinc/66/23/57/638662357.db2.gz ABEHFISTDPTNKE-QJPTWQEYSA-N -1 0 241.331 2.062 20 30 BEEDRM C=C1CCC(C(=O)N[C@@](C)(CC)C(=O)[O-])CC1 ZINC000908921270 639094089 /nfs/dbraw/zinc/09/40/89/639094089.db2.gz AZCLBKLKPZZJHG-ZDUSSCGKSA-N -1 0 239.315 2.102 20 30 BEEDRM C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000909734769 639217159 /nfs/dbraw/zinc/21/71/59/639217159.db2.gz XLLLQKBPIPAJFC-MFKMUULPSA-N -1 0 239.315 2.054 20 30 BEEDRM C=C[C@](C)(CC)C(=O)NC[C@@H](CCC)C(=O)[O-] ZINC000909811502 639228126 /nfs/dbraw/zinc/22/81/26/639228126.db2.gz IYHFLGKTBHPEBJ-ZWNOBZJWSA-N -1 0 241.331 2.206 20 30 BEEDRM C=CCCNC(=O)c1ccccc1CCC(=O)[O-] ZINC000909943564 639285875 /nfs/dbraw/zinc/28/58/75/639285875.db2.gz QJGBQAJFCRYGGZ-UHFFFAOYSA-N -1 0 247.294 2.010 20 30 BEEDRM CCCCCCCNC(=O)[C@H](CC)C(=O)[O-] ZINC000910190661 639383412 /nfs/dbraw/zinc/38/34/12/639383412.db2.gz AWVQWZHPLDQGRB-JTQLQIEISA-N -1 0 229.320 2.184 20 30 BEEDRM C=CCCC(C)(C)CNC(=O)[C@H](C)CC(=O)[O-] ZINC000910282509 639402942 /nfs/dbraw/zinc/40/29/42/639402942.db2.gz VDLZMAJGMZORBM-SNVBAGLBSA-N -1 0 241.331 2.206 20 30 BEEDRM C=CCCC(C)(C)CNC(=O)[C@@H](C)CC(=O)[O-] ZINC000910282508 639404193 /nfs/dbraw/zinc/40/41/93/639404193.db2.gz VDLZMAJGMZORBM-JTQLQIEISA-N -1 0 241.331 2.206 20 30 BEEDRM C=C(C)C[C@@H](NC(=O)[C@H](C)CC(C)C)C(=O)[O-] ZINC000910291646 639411846 /nfs/dbraw/zinc/41/18/46/639411846.db2.gz KYBBSPJAFDFXRA-GHMZBOCLSA-N -1 0 241.331 2.204 20 30 BEEDRM C=C(C)C[C@H](NC(=O)/C(C)=C(\C)CC)C(=O)[O-] ZINC000910293471 639413211 /nfs/dbraw/zinc/41/32/11/639413211.db2.gz ZMAPEBHMVALVOM-USKTWTLRSA-N -1 0 239.315 2.268 20 30 BEEDRM CCCCC[C@H](Nc1ccc(C#N)nc1)C(=O)[O-] ZINC000910436173 639441083 /nfs/dbraw/zinc/44/10/83/639441083.db2.gz ZJGHFSFCLVSPLW-LBPRGKRZSA-N -1 0 247.298 2.399 20 30 BEEDRM C=CCCC(=O)N[C@@H](CCCC(C)C)C(=O)[O-] ZINC000910572866 639477856 /nfs/dbraw/zinc/47/78/56/639477856.db2.gz LZPVQGXSTSRTJB-NSHDSACASA-N -1 0 241.331 2.348 20 30 BEEDRM C=CC(C)(C)C(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-] ZINC000910913141 639535851 /nfs/dbraw/zinc/53/58/51/639535851.db2.gz WBFUBKCIVPAWEO-VHSXEESVSA-N -1 0 241.331 2.204 20 30 BEEDRM C=CCCC[C@@H](NC(=O)[C@@H](C)C(C)C)C(=O)[O-] ZINC000910913957 639537058 /nfs/dbraw/zinc/53/70/58/639537058.db2.gz GPIMNKGAXPECEF-WDEREUQCSA-N -1 0 241.331 2.204 20 30 BEEDRM C=CCCC[C@H](NC(=O)CCCCC)C(=O)[O-] ZINC000910916560 639537635 /nfs/dbraw/zinc/53/76/35/639537635.db2.gz YGLKYZHDJBJEQC-NSHDSACASA-N -1 0 241.331 2.492 20 30 BEEDRM C=CCCC[C@H](NC(=O)/C(C)=C\CC)C(=O)[O-] ZINC000910917496 639538665 /nfs/dbraw/zinc/53/86/65/639538665.db2.gz ASEFJCAQMGVBGM-IEHMKBBKSA-N -1 0 239.315 2.268 20 30 BEEDRM C=C(C)CO[N-]C(=O)/C(F)=C(/C)C1CC1 ZINC000911902236 639884556 /nfs/dbraw/zinc/88/45/56/639884556.db2.gz VRLAIOMRCKSOEO-CSKARUKUSA-N -1 0 213.252 2.264 20 30 BEEDRM C=CCCO[N-]C(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000912627327 640144598 /nfs/dbraw/zinc/14/45/98/640144598.db2.gz COBZBNUPUFNSDF-YIZWMMSDSA-N -1 0 248.326 2.330 20 30 BEEDRM CC[C@@H](CNc1ccc(F)cc1C#N)C(=O)[O-] ZINC000087510257 640906649 /nfs/dbraw/zinc/90/66/49/640906649.db2.gz SMDJXHIFECJZNR-QMMMGPOBSA-N -1 0 236.246 2.220 20 30 BEEDRM C#Cc1cccc(NC(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC000061834228 640998893 /nfs/dbraw/zinc/99/88/93/640998893.db2.gz BOWUVKOIRZSFCT-SNVBAGLBSA-N -1 0 245.278 2.107 20 30 BEEDRM O=C([O-])c1cc(C(=O)/C=C/c2cocn2)cs1 ZINC000188047408 641742367 /nfs/dbraw/zinc/74/23/67/641742367.db2.gz LGOWORKPXPBCCB-OWOJBTEDSA-N -1 0 249.247 2.330 20 30 BEEDRM C=CCO[N-]C(=O)[C@@H](C)c1c(F)cccc1F ZINC000837048450 641840141 /nfs/dbraw/zinc/84/01/41/641840141.db2.gz STWFMQVDLMILHQ-QMMMGPOBSA-N -1 0 241.237 2.302 20 30 BEEDRM C=CCC1(C(=O)[N-]O[C@@H]2CCCCO2)CCC1 ZINC000190833888 641890313 /nfs/dbraw/zinc/89/03/13/641890313.db2.gz CKDRQKNPEJDVDH-LLVKDONJSA-N -1 0 239.315 2.307 20 30 BEEDRM Cn1nccc1/C=C\C(=O)c1cc(F)ccc1[O-] ZINC000255283317 642344521 /nfs/dbraw/zinc/34/45/21/642344521.db2.gz VHYDIXVYSIYCKL-HYXAFXHYSA-N -1 0 246.241 2.161 20 30 BEEDRM C#CCCCC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000113466126 642896167 /nfs/dbraw/zinc/89/61/67/642896167.db2.gz UNOPPWYRMGPIEO-UHFFFAOYSA-N -1 0 245.278 2.056 20 30 BEEDRM CCCC[C@@H](CC)C(=O)[N-]S(C)(=O)=O ZINC000069538325 643968659 /nfs/dbraw/zinc/96/86/59/643968659.db2.gz HTWXYLMIRVBKCI-MRVPVSSYSA-N -1 0 221.322 2.119 20 30 BEEDRM CC(C)(C)CS(=O)(=O)[N-]C(=O)C=C1CCC1 ZINC000088813859 644530019 /nfs/dbraw/zinc/53/00/19/644530019.db2.gz AQWMJKSSKAKNDJ-UHFFFAOYSA-N -1 0 245.344 2.429 20 30 BEEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(C)cc1 ZINC000092463724 644658876 /nfs/dbraw/zinc/65/88/76/644658876.db2.gz SFUJLKRYAMALJN-UHFFFAOYSA-N -1 0 248.282 2.100 20 30 BEEDRM O=C([O-])c1ccc(C=NNCC2CCCC2)cc1 ZINC000808006077 644869265 /nfs/dbraw/zinc/86/92/65/644869265.db2.gz QMILZMGLEVGCOH-UHFFFAOYSA-N -1 0 246.310 2.499 20 30 BEEDRM C#CCO[N-]C(=O)[C@@H](CC=C)c1ccccc1 ZINC000812783157 644931649 /nfs/dbraw/zinc/93/16/49/644931649.db2.gz BDVDXORUMBRQIT-ZDUSSCGKSA-N -1 0 229.279 2.027 20 30 BEEDRM CCC(N=Nc1nc(C)cc(=O)[n-]1)[C@@H]1C[C@@H]1C ZINC000841604453 645221881 /nfs/dbraw/zinc/22/18/81/645221881.db2.gz QCWFRUSCZRSTEG-IONNQARKSA-N -1 0 234.303 2.325 20 30 BEEDRM C=C(C)C[C@H](NC(=O)OC1CCCC1)C(=O)[O-] ZINC000926565842 645287216 /nfs/dbraw/zinc/28/72/16/645287216.db2.gz CMCIXWXTPJGYCS-JTQLQIEISA-N -1 0 241.287 2.075 20 30 BEEDRM C=CCN(CC(=O)[O-])C(=O)O[C@@H](C)CC(C)C ZINC000926475121 646653700 /nfs/dbraw/zinc/65/37/00/646653700.db2.gz XRXIDDVUBRWOIL-JTQLQIEISA-N -1 0 243.303 2.130 20 30 BEEDRM CSCCON=C1CC[C@@H](C(=O)[O-])C[C@@H]1C ZINC000378674433 712356325 /nfs/dbraw/zinc/35/63/25/712356325.db2.gz NMBARNYHEWBATH-DTWKUNHWSA-N -1 0 245.344 2.243 20 30 BEEDRM 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246.291 2.403 20 30 BEEDRM O=C([O-])[C@H]1CCCC(=NO[C@H]2CCCCO2)C1 ZINC001610740224 1170407075 /nfs/dbraw/zinc/40/70/75/1170407075.db2.gz NXXYOTCECRWLII-ONGXEEELSA-N -1 0 241.287 2.160 20 30 BEEDRM C=CC[C@H](C)NC(=O)c1ccc(F)c(O)c1 ZINC001628038498 1171199694 /nfs/dbraw/zinc/19/96/94/1171199694.db2.gz RXCDJZWSEGNDTO-QMMMGPOBSA-N -1 0 223.247 2.226 20 30 BEEDRM C=CCN(C(=O)CC(C)(C)CC(=O)[O-])C1CC1 ZINC000165196145 538934905 /nfs/dbraw/zinc/93/49/05/538934905.db2.gz UDFMOWQVSRKZMO-UHFFFAOYSA-N -1 0 239.315 2.054 20 30 BEEDRM C=C1CCN(C(=O)CC(C)(C)CC(=O)[O-])CC1 ZINC000382483353 539009413 /nfs/dbraw/zinc/00/94/13/539009413.db2.gz RMDRMEHQPKDWTB-UHFFFAOYSA-N -1 0 239.315 2.056 20 30 BEEDRM CC(C)c1ccc(C(=O)[N-]S(C)(=O)=O)cc1 ZINC000042279822 361976730 /nfs/dbraw/zinc/97/67/30/361976730.db2.gz MCLQUXHYXQJALZ-UHFFFAOYSA-N -1 0 241.312 2.074 20 30 BEEDRM C=CCCC(=O)Nc1ccc(O)cc1F ZINC000082879347 343469553 /nfs/dbraw/zinc/46/95/53/343469553.db2.gz KULLIQRQOJZAGL-UHFFFAOYSA-N -1 0 209.220 2.436 20 30 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CC(C)(CCC(=O)[O-])Nc1ccc(C#N)cn1 ZINC000050196282 188046014 /nfs/dbraw/zinc/04/60/14/188046014.db2.gz RGDSZBKLHLRKOZ-UHFFFAOYSA-N -1 0 233.271 2.009 20 30 BEEDRM C=CCC1(C(=O)N(C)CCCC(=O)[O-])CCC1 ZINC000263098429 188259798 /nfs/dbraw/zinc/25/97/98/188259798.db2.gz IPWIBCWHEKEXGN-UHFFFAOYSA-N -1 0 239.315 2.056 20 30 BEEDRM C=CCCC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000054399531 353334709 /nfs/dbraw/zinc/33/47/09/353334709.db2.gz VEKZXAJEOWISQD-GFCCVEGCSA-N -1 0 247.294 2.285 20 30 BEEDRM CC(C)(CCC(=O)[O-])Nc1ccc(C#N)nc1 ZINC000129109526 188402966 /nfs/dbraw/zinc/40/29/66/188402966.db2.gz QPRQMTKDCBYVQO-UHFFFAOYSA-N -1 0 233.271 2.009 20 30 BEEDRM CC1(C)CC[C@H](NC(=O)N=c2cn[n-]s2)C1 ZINC000330251457 356190419 /nfs/dbraw/zinc/19/04/19/356190419.db2.gz HRBRNGXFMGCGID-ZETCQYMHSA-N -1 0 240.332 2.443 20 30 BEEDRM CC#CCN=c1nc(C2CCCC2)[n-]s1 ZINC000420601897 192248686 /nfs/dbraw/zinc/24/86/86/192248686.db2.gz HPBDTRHKJNPGRG-UHFFFAOYSA-N -1 0 221.329 2.053 20 30 BEEDRM C=CCC1(C(=O)N[C@@H](CCC)C(=O)[O-])CCC1 ZINC000450517486 202189670 /nfs/dbraw/zinc/18/96/70/202189670.db2.gz NTSBLRVLVBAMAD-JTQLQIEISA-N -1 0 239.315 2.102 20 30 BEEDRM Cc1csc(C(C#N)=C([O-])c2cccnc2)n1 ZINC000122350370 134238942 /nfs/dbraw/zinc/23/89/42/134238942.db2.gz PLGPPXPNDQLBRG-SNVBAGLBSA-N -1 0 243.291 2.337 20 30 BEEDRM N#CC[C@@H]1CC[C@H](N=c2nc(C3CC3)[n-]s2)C1 ZINC000450669835 202231356 /nfs/dbraw/zinc/23/13/56/202231356.db2.gz CQTXSONLHJDXBL-WPRPVWTQSA-N -1 0 248.355 2.332 20 30 BEEDRM C=CC(C)(C)CN=c1[n-]nc(C(F)F)o1 ZINC000450726867 202246487 /nfs/dbraw/zinc/24/64/87/202246487.db2.gz GVDIPEXZHDCAQL-UHFFFAOYSA-N -1 0 217.219 2.053 20 30 BEEDRM C=CCCC(=O)N(CC(=O)[O-])c1ccccc1 ZINC000054399829 358860494 /nfs/dbraw/zinc/86/04/94/358860494.db2.gz KREYZOXXHNZOMF-UHFFFAOYSA-N -1 0 233.267 2.070 20 30 BEEDRM C=C(CC)CN=c1[n-]nc(C2CC2)s1 ZINC000450913604 202309250 /nfs/dbraw/zinc/30/92/50/202309250.db2.gz OMCHHZOUSCMJGB-UHFFFAOYSA-N -1 0 209.318 2.216 20 30 BEEDRM C=CC[C@H]1CCN(C(=O)c2cc(C(=O)[O-])co2)C1 ZINC000630230086 364028154 /nfs/dbraw/zinc/02/81/54/364028154.db2.gz FACHKPMZLHFLQU-VIFPVBQESA-N -1 0 249.266 2.016 20 30 BEEDRM C=CCCCNC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000630299695 364048821 /nfs/dbraw/zinc/04/88/21/364048821.db2.gz VUERVXMQLVQDAF-UHFFFAOYSA-N -1 0 247.294 2.010 20 30 BEEDRM C=C[C@@H]1CCCCN1C(=O)CCCCC(=O)[O-] ZINC000630300816 364049929 /nfs/dbraw/zinc/04/99/29/364049929.db2.gz BRRUVQKLQHSQOV-LLVKDONJSA-N -1 0 239.315 2.199 20 30 BEEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)[C@H](C)CC)C(=O)[O-] ZINC000630320127 364058493 /nfs/dbraw/zinc/05/84/93/364058493.db2.gz PIBTZYXAUXDYDK-VWYCJHECSA-N -1 0 241.331 2.204 20 30 BEEDRM C=C(C)C[C@H](NC(=O)CC(CC)CC)C(=O)[O-] ZINC000630319583 364058682 /nfs/dbraw/zinc/05/86/82/364058682.db2.gz CTPMZTJDMJKBSV-NSHDSACASA-N -1 0 241.331 2.348 20 30 BEEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)[C@@H](C)CC)C(=O)[O-] ZINC000630320125 364059102 /nfs/dbraw/zinc/05/91/02/364059102.db2.gz PIBTZYXAUXDYDK-DCAQKATOSA-N -1 0 241.331 2.204 20 30 BEEDRM C=C(C)C[C@H](NC(=O)C[C@@H](C)CCC)C(=O)[O-] ZINC000630326158 364061834 /nfs/dbraw/zinc/06/18/34/364061834.db2.gz NQQDXRPWTGBMBT-QWRGUYRKSA-N -1 0 241.331 2.348 20 30 BEEDRM C=C(CN=c1nc(C)[n-]s1)c1ccccc1 ZINC000336719369 365361753 /nfs/dbraw/zinc/36/17/53/365361753.db2.gz YCURQWLZXVYMRF-UHFFFAOYSA-N -1 0 231.324 2.394 20 30 BEEDRM C=CC(C)(C)CNC(=O)c1c(O)cccc1F ZINC000384847932 367742448 /nfs/dbraw/zinc/74/24/48/367742448.db2.gz KMCVPBMWSCYCRJ-UHFFFAOYSA-N -1 0 237.274 2.473 20 30 BEEDRM CC(C)c1cc(=O)n(Cc2cccc(C#N)c2)[n-]1 ZINC000601943337 369725450 /nfs/dbraw/zinc/72/54/50/369725450.db2.gz DFCFPBXHBFJQCJ-UHFFFAOYSA-N -1 0 241.294 2.303 20 30 BEEDRM CC[C@@H](C)n1[n-]c(-c2cccc(C#N)c2)cc1=O ZINC000601953883 369729280 /nfs/dbraw/zinc/72/92/80/369729280.db2.gz DWAACXBQXDHTOJ-SNVBAGLBSA-N -1 0 241.294 2.293 20 30 BEEDRM N#Cc1cccc(NC2CCC(C(=O)[O-])CC2)n1 ZINC000081594250 206041016 /nfs/dbraw/zinc/04/10/16/206041016.db2.gz SNGUPRLUMXCFML-UHFFFAOYSA-N -1 0 245.282 2.009 20 30 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CO[C@@H](C)C(C)N=Nc1cccc(C(=O)[O-])c1 ZINC000763107787 585443460 /nfs/dbraw/zinc/44/34/60/585443460.db2.gz WZUBKEPNJQEKFW-VIFPVBQESA-N -1 0 236.271 2.208 20 30 BEEDRM CCC(N=Nc1ccc(C(=O)[O-])cn1)C1CC1 ZINC000763371579 585447299 /nfs/dbraw/zinc/44/72/99/585447299.db2.gz FGNJWXJMJVNYFQ-UHFFFAOYSA-N -1 0 233.271 2.368 20 30 BEEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccco1 ZINC000763377153 585447329 /nfs/dbraw/zinc/44/73/29/585447329.db2.gz JLMHANXHHKNXMQ-UHFFFAOYSA-N -1 0 245.238 2.209 20 30 BEEDRM C[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])cn1 ZINC000763372007 585447341 /nfs/dbraw/zinc/44/73/41/585447341.db2.gz OZIPMJYVCMAWJS-QMMMGPOBSA-N -1 0 233.271 2.368 20 30 BEEDRM C#CCCOC(=O)c1ccc([O-])c(Cl)c1 ZINC000765392878 585485454 /nfs/dbraw/zinc/48/54/54/585485454.db2.gz MZVNBESBIWVUMP-UHFFFAOYSA-N -1 0 224.643 2.226 20 30 BEEDRM O=C([O-])c1ccccc1N=NCC[C@H]1CCOC1 ZINC000765568500 585490014 /nfs/dbraw/zinc/49/00/14/585490014.db2.gz FFXMMRYEDSJLLF-JTQLQIEISA-N -1 0 248.282 2.209 20 30 BEEDRM 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C=C[C@H](C)O[N-]C(=O)[C@@H]1CCc2ccccc2O1 ZINC000846554773 588276945 /nfs/dbraw/zinc/27/69/45/588276945.db2.gz ONFRQRJRWGSVIZ-GWCFXTLKSA-N -1 0 247.294 2.003 20 30 BEEDRM C=C[C@@H](C)O[N-]C(=O)C(C)(C)C(C)(F)F ZINC000846555555 588277306 /nfs/dbraw/zinc/27/73/06/588277306.db2.gz WHZUCFJNLUGWOW-SSDOTTSWSA-N -1 0 221.247 2.290 20 30 BEEDRM C#CC[C@@H]1CCN(C(=O)c2c([O-])cccc2F)C1 ZINC000862572411 589224422 /nfs/dbraw/zinc/22/44/22/589224422.db2.gz HIPGYWHKVDUODN-SNVBAGLBSA-N -1 0 247.269 2.017 20 30 BEEDRM C#CC[C@H]1CCN(C(=O)c2c([O-])cccc2F)C1 ZINC000862572410 589224667 /nfs/dbraw/zinc/22/46/67/589224667.db2.gz HIPGYWHKVDUODN-JTQLQIEISA-N -1 0 247.269 2.017 20 30 BEEDRM C=C(Cl)C[NH+]1[C@@H](C)CC(C(=O)[O-])C[C@@H]1C ZINC000863476530 589292032 /nfs/dbraw/zinc/29/20/32/589292032.db2.gz IEVDGLMXPXPYQN-IUCAKERBSA-N -1 0 231.723 2.313 20 30 BEEDRM C=C(Cl)C[C@H](NC(=O)CC(C)(C)C)C(=O)[O-] ZINC000864182124 589346702 /nfs/dbraw/zinc/34/67/02/589346702.db2.gz JLAYUDLBVNWSCT-QMMMGPOBSA-N -1 0 247.722 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CC[C@@H](NN=C1CCC[C@@H](C)CC1)C(=O)[O-] ZINC000884471262 591944806 /nfs/dbraw/zinc/94/48/06/591944806.db2.gz PXQBXJADSRRJQV-MWLCHTKSSA-N -1 0 226.320 2.395 20 30 BEEDRM CCCCCC(C)=NNCCC(=O)[O-] ZINC000820310814 597743205 /nfs/dbraw/zinc/74/32/05/597743205.db2.gz INGJENRVVZBWKJ-UHFFFAOYSA-N -1 0 200.282 2.007 20 30 BEEDRM C=CCN(C(=O)c1cccc(C(=O)[O-])c1)C(C)C ZINC000165788171 598143135 /nfs/dbraw/zinc/14/31/35/598143135.db2.gz MTPPNIFJMUXXHL-UHFFFAOYSA-N -1 0 247.294 2.421 20 30 BEEDRM N#CCCCCOC(=O)c1ccccc1C(=O)[O-] ZINC000739070111 599788435 /nfs/dbraw/zinc/78/84/35/599788435.db2.gz XMPSWWSZCQVRHV-UHFFFAOYSA-N -1 0 247.250 2.235 20 30 BEEDRM C=CCCC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000054399419 599836277 /nfs/dbraw/zinc/83/62/77/599836277.db2.gz SHSLDEYPRALTSR-UHFFFAOYSA-N -1 0 233.267 2.314 20 30 BEEDRM CCCCCCCOC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000736984368 600168561 /nfs/dbraw/zinc/16/85/61/600168561.db2.gz YKVLJIGHZNVRNW-UWVGGRQHSA-N -1 0 228.288 2.221 20 30 BEEDRM 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C=CCCC(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000738489420 601990534 /nfs/dbraw/zinc/99/05/34/601990534.db2.gz VNMCNBWYQMRORA-UHFFFAOYSA-N -1 0 235.243 2.076 20 30 BEEDRM C=CCOC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000738491916 602549865 /nfs/dbraw/zinc/54/98/65/602549865.db2.gz PZYCMVBCFJFXGC-UHFFFAOYSA-N -1 0 239.202 2.258 20 30 BEEDRM O=C([O-])N1CC(N=Nc2ccc(Cl)cc2)C1 ZINC000740488956 602641718 /nfs/dbraw/zinc/64/17/18/602641718.db2.gz UXCNWYXETOTFOS-UHFFFAOYSA-N -1 0 239.662 2.102 20 30 BEEDRM C=C(C)COC(=O)[C@H](NC(=O)[O-])c1ccccc1 ZINC000738485137 602890164 /nfs/dbraw/zinc/89/01/64/602890164.db2.gz BAZKBZJCOHIIHO-LLVKDONJSA-N -1 0 249.266 2.115 20 30 BEEDRM C=CCCCOC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000738492504 603028383 /nfs/dbraw/zinc/02/83/83/603028383.db2.gz FXAWJEZHQGGTEX-SNVBAGLBSA-N -1 0 241.287 2.028 20 30 BEEDRM CCC(CC)NN=C1CCC[C@H]1CNC(=O)[O-] ZINC000739253162 603320672 /nfs/dbraw/zinc/32/06/72/603320672.db2.gz FBNDPRLTAQJJJH-VIFPVBQESA-N -1 0 241.335 2.188 20 30 BEEDRM 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C=CCCC(CC)=NN[C@@H](CC)C(=O)[O-] ZINC000308822147 631835415 /nfs/dbraw/zinc/83/54/15/631835415.db2.gz CIIBWVWXWXKNIG-JTQLQIEISA-N -1 0 212.293 2.171 20 30 BEEDRM CC[C@H](NN=C1CCC(C)CC1)C(=O)[O-] ZINC000308853952 631949186 /nfs/dbraw/zinc/94/91/86/631949186.db2.gz PHDYIYLNRYZJEU-HTLJXXAVSA-N -1 0 212.293 2.005 20 30 BEEDRM CC[C@H](NN=Cc1cc(C)sc1C)C(=O)[O-] ZINC000309332988 632004291 /nfs/dbraw/zinc/00/42/91/632004291.db2.gz IGWLSUAFZJPKFG-JTQLQIEISA-N -1 0 240.328 2.152 20 30 BEEDRM Cn1cc(/C=C\C(=O)c2ccc(F)cc2[O-])cn1 ZINC000255652345 632679365 /nfs/dbraw/zinc/67/93/65/632679365.db2.gz MQRLGNJBOLETAC-DJWKRKHSSA-N -1 0 246.241 2.161 20 30 BEEDRM Cn1nccc1/C=C\C(=O)c1ccc([O-])c(F)c1 ZINC000255834045 632746478 /nfs/dbraw/zinc/74/64/78/632746478.db2.gz WXFDGKQSHMUAAZ-HYXAFXHYSA-N -1 0 246.241 2.161 20 30 BEEDRM CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000048405825 635849500 /nfs/dbraw/zinc/84/95/00/635849500.db2.gz GDJKWDXHJGXNSW-SECBINFHSA-N -1 0 241.312 2.378 20 30 BEEDRM CC[C@@H](NN=C1CC(C)(C)C[C@@H]1C)C(=O)[O-] ZINC000309696467 633990363 /nfs/dbraw/zinc/99/03/63/633990363.db2.gz RNLQEIUWRVIBPV-DTWKUNHWSA-N -1 0 226.320 2.251 20 30 BEEDRM C=CCCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000054400135 636613885 /nfs/dbraw/zinc/61/38/85/636613885.db2.gz QTCHLBWGIQACRF-NSHDSACASA-N -1 0 239.315 2.199 20 30 BEEDRM CCCON=Cc1cc(C(=O)[O-])c(C)o1 ZINC000901259864 637237262 /nfs/dbraw/zinc/23/72/62/637237262.db2.gz TWAKTORBMMKXNT-UHFFFAOYSA-N -1 0 211.217 2.047 20 30 BEEDRM C=CCCCS(=O)(=O)[N-]c1cnc(C)s1 ZINC000903167927 637352052 /nfs/dbraw/zinc/35/20/52/637352052.db2.gz CDDGJVHTTVCNQH-UHFFFAOYSA-N -1 0 246.357 2.159 20 30 BEEDRM C=C[C@@H](CC)CC(=O)N[C@H](CC(=C)C)C(=O)[O-] ZINC000907743161 638454985 /nfs/dbraw/zinc/45/49/85/638454985.db2.gz GVRQZFPBPDMBNV-WDEREUQCSA-N -1 0 239.315 2.124 20 30 BEEDRM C=C[C@H](CC)CC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000907756303 638463597 /nfs/dbraw/zinc/46/35/97/638463597.db2.gz GTVSOUQAOYHSLE-MNOVXSKESA-N -1 0 241.331 2.204 20 30 BEEDRM C=C[C@@H](CC)CC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000907787687 638473349 /nfs/dbraw/zinc/47/33/49/638473349.db2.gz QTWLWEPZOORJKI-VIFPVBQESA-N -1 0 248.282 2.321 20 30 BEEDRM C=C[C@@H](CC)CC(=O)N(CCC)[C@H](C)C(=O)[O-] ZINC000907845296 638494110 /nfs/dbraw/zinc/49/41/10/638494110.db2.gz TZRFEWNWDCXFFG-MNOVXSKESA-N -1 0 241.331 2.300 20 30 BEEDRM C=C[C@@H](CC)CC(=O)N(CCC)[C@@H](C)C(=O)[O-] ZINC000907845297 638494978 /nfs/dbraw/zinc/49/49/78/638494978.db2.gz TZRFEWNWDCXFFG-QWRGUYRKSA-N -1 0 241.331 2.300 20 30 BEEDRM C#CCCCC(=O)Nc1ccccc1CC(=O)[O-] ZINC000909062842 639136419 /nfs/dbraw/zinc/13/64/19/639136419.db2.gz LXEWPVQLGSVSBP-UHFFFAOYSA-N -1 0 245.278 2.056 20 30 BEEDRM C=CCC(C)(C)C(=O)NCCCCCC(=O)[O-] ZINC000909094777 639142283 /nfs/dbraw/zinc/14/22/83/639142283.db2.gz PHQUTMKKHKYSNH-UHFFFAOYSA-N -1 0 241.331 2.350 20 30 BEEDRM C=CCC[C@H](NC(=O)[C@](C)(C=C)CC)C(=O)[O-] ZINC000909714211 639206619 /nfs/dbraw/zinc/20/66/19/639206619.db2.gz WAZXZAAKFKNBFR-GXFFZTMASA-N -1 0 239.315 2.124 20 30 BEEDRM C=CCC[C@@H](NC(=O)C(C)=C1CCC1)C(=O)[O-] ZINC000909713071 639206936 /nfs/dbraw/zinc/20/69/36/639206936.db2.gz DVWQYWSUOSBJSH-LLVKDONJSA-N -1 0 237.299 2.022 20 30 BEEDRM C=C(C)C(C)(C)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000909734891 639217050 /nfs/dbraw/zinc/21/70/50/639217050.db2.gz XQVYBXMXTPELAD-JTQLQIEISA-N -1 0 239.315 2.054 20 30 BEEDRM C=C1CCC(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1 ZINC000910200472 639380340 /nfs/dbraw/zinc/38/03/40/639380340.db2.gz XZVJRMQZYMMCDO-LBPRGKRZSA-N -1 0 249.310 2.022 20 30 BEEDRM C=C(Cl)C[C@@H](NC(=O)/C=C(\C)CC)C(=O)[O-] ZINC000910266547 639398764 /nfs/dbraw/zinc/39/87/64/639398764.db2.gz MOMWRHVAPYJQNA-VPIOIWJLSA-N -1 0 245.706 2.055 20 30 BEEDRM C=C(C)C[C@@H](NC(=O)/C(C)=C(/C)CC)C(=O)[O-] ZINC000910293468 639413096 /nfs/dbraw/zinc/41/30/96/639413096.db2.gz ZMAPEBHMVALVOM-DWOQACPDSA-N -1 0 239.315 2.268 20 30 BEEDRM C=CC(C)(C)CCCNC(=O)[C@H](C)CC(=O)[O-] ZINC000910378630 639431910 /nfs/dbraw/zinc/43/19/10/639431910.db2.gz DYNKTXTZBSQBEU-SNVBAGLBSA-N -1 0 241.331 2.206 20 30 BEEDRM C=CCN(CC(=O)[O-])c1ncc(C(C)C)s1 ZINC000910394873 639438465 /nfs/dbraw/zinc/43/84/65/639438465.db2.gz DHZSFLINDUTSRS-UHFFFAOYSA-N -1 0 240.328 2.344 20 30 BEEDRM C=CCCC[C@@H](NC(=O)CCCCC)C(=O)[O-] ZINC000910916559 639538796 /nfs/dbraw/zinc/53/87/96/639538796.db2.gz YGLKYZHDJBJEQC-LLVKDONJSA-N -1 0 241.331 2.492 20 30 BEEDRM C=CCCC[C@@H](NC(=O)/C(=C\C)CC)C(=O)[O-] ZINC000910917217 639538805 /nfs/dbraw/zinc/53/88/05/639538805.db2.gz OAHXOBOESJGQHA-GULOHRGCSA-N -1 0 239.315 2.268 20 30 BEEDRM C=CCCC[C@@H](NC(=O)/C=C(/C)CC)C(=O)[O-] ZINC000910915800 639539297 /nfs/dbraw/zinc/53/92/97/639539297.db2.gz AZRAYZUFFXXONS-DWOQACPDSA-N -1 0 239.315 2.268 20 30 BEEDRM C=C(C)C(C)(C)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000910971054 639552476 /nfs/dbraw/zinc/55/24/76/639552476.db2.gz BYEBZQQKHHNPAD-UHFFFAOYSA-N -1 0 248.282 2.321 20 30 BEEDRM C=C[C@@H](C)O[N-]C(=O)C(C)(C)c1nccs1 ZINC000911903576 639885572 /nfs/dbraw/zinc/88/55/72/639885572.db2.gz UYUYPPBEQKHIAR-MRVPVSSYSA-N -1 0 240.328 2.043 20 30 BEEDRM O=C(/C=C/c1csnn1)c1ccccc1[O-] ZINC000156596486 640467211 /nfs/dbraw/zinc/46/72/11/640467211.db2.gz WQEOPFYIMBKUEL-AATRIKPKSA-N -1 0 232.264 2.140 20 30 BEEDRM Cn1nccc1/C=C/C(=O)c1ccccc1[O-] ZINC000156595674 640468198 /nfs/dbraw/zinc/46/81/98/640468198.db2.gz NEDHDZLJWCEXER-VOTSOKGWSA-N -1 0 228.251 2.022 20 30 BEEDRM C=CC[C@H](C)NC(=O)c1cccc(F)c1[O-] ZINC000933041621 640662440 /nfs/dbraw/zinc/66/24/40/640662440.db2.gz QDJJPVXEZBEJMG-QMMMGPOBSA-N -1 0 223.247 2.226 20 30 BEEDRM CC(C)[C@H](Nc1ccc(C#N)cc1F)C(=O)[O-] ZINC000043441520 641563969 /nfs/dbraw/zinc/56/39/69/641563969.db2.gz WWZZZTQHHFPSOD-NSHDSACASA-N -1 0 236.246 2.218 20 30 BEEDRM C=CCO[N-]C(=O)[C@@H](CC)c1ccc(OC)cc1 ZINC000837048897 641842163 /nfs/dbraw/zinc/84/21/63/641842163.db2.gz ZYOJHPPQPMPLMU-ZDUSSCGKSA-N -1 0 249.310 2.423 20 30 BEEDRM O=C([O-])c1ccc(NN=Cc2ccc[nH]2)cc1 ZINC000916240500 641919394 /nfs/dbraw/zinc/91/93/94/641919394.db2.gz DPGHFHOUGLMVJY-UHFFFAOYSA-N -1 0 229.239 2.159 20 30 BEEDRM Cc1nnc(N=NC(C)C2CCCCC2)[n-]c1=O ZINC000916282542 641926409 /nfs/dbraw/zinc/92/64/09/641926409.db2.gz HUCVGGRPLNKLMQ-UHFFFAOYSA-N -1 0 249.318 2.254 20 30 BEEDRM C=CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000920957496 642564393 /nfs/dbraw/zinc/56/43/93/642564393.db2.gz IOTOTGQVCOCRGI-GQCTYLIASA-N -1 0 248.238 2.291 20 30 BEEDRM Cn1nccc1/C=C/C(=O)c1ccc([O-])c(F)c1 ZINC000170851815 642714352 /nfs/dbraw/zinc/71/43/52/642714352.db2.gz WXFDGKQSHMUAAZ-HWKANZROSA-N -1 0 246.241 2.161 20 30 BEEDRM CCCCS(=O)(=O)[N-]C(=O)[C@H](C)CC ZINC000069574890 642879738 /nfs/dbraw/zinc/87/97/38/642879738.db2.gz PPAWTLDWVJYXNV-MRVPVSSYSA-N -1 0 221.322 2.119 20 30 BEEDRM C=C(C)C[C@@H](C)C(=O)NC1(C(=O)[O-])CCCC1 ZINC000192850347 644188526 /nfs/dbraw/zinc/18/85/26/644188526.db2.gz RVLAOUTUQPJNLN-SNVBAGLBSA-N -1 0 239.315 2.102 20 30 BEEDRM CC[C@@](C)(C#N)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000923059238 644251023 /nfs/dbraw/zinc/25/10/23/644251023.db2.gz NBPWANATHUJUDN-ZDUSSCGKSA-N -1 0 246.266 2.263 20 30 BEEDRM N#Cc1cc(F)c(SCC(=O)[O-])c(F)c1 ZINC000088124977 644509992 /nfs/dbraw/zinc/50/99/92/644509992.db2.gz YEBFEIHBHJZLJK-UHFFFAOYSA-N -1 0 229.207 2.013 20 30 BEEDRM CC[C@@H](C)NN=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000790184248 644616121 /nfs/dbraw/zinc/61/61/21/644616121.db2.gz SSPBQRCECZFSMJ-MRVPVSSYSA-N -1 0 237.259 2.022 20 30 BEEDRM C=CCN(CC(=O)[O-])Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000092469712 644659597 /nfs/dbraw/zinc/65/95/97/644659597.db2.gz MYHXLPBLYJDBRL-JQWIXIFHSA-N -1 0 249.310 2.476 20 30 BEEDRM CC(C)C(C)N=Nc1ccc(C(=O)[O-])nc1 ZINC000835006247 645160163 /nfs/dbraw/zinc/16/01/63/645160163.db2.gz BYCXUVWBLVCXFT-UHFFFAOYSA-N -1 0 221.260 2.224 20 30 BEEDRM CC(CC1CC1)N=Nc1ccc(C(=O)[O-])nc1 ZINC000835007544 645160854 /nfs/dbraw/zinc/16/08/54/645160854.db2.gz XMPSXAWVEWHVJC-UHFFFAOYSA-N -1 0 233.271 2.368 20 30 BEEDRM CCC(N=Nc1nnc(C)c(=O)[n-]1)[C@@H]1CC1(C)C ZINC000841610978 645223931 /nfs/dbraw/zinc/22/39/31/645223931.db2.gz WOHSMCYDZLHYLH-QMMMGPOBSA-N -1 0 249.318 2.110 20 30 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979315679 /nfs/dbraw/zinc/31/56/79/979315679.db2.gz PSYQLMCRWUJDQV-UHFFFAOYSA-N -1 0 234.251 2.047 20 30 BEEDRM CC#CCNc1cccc(C(=O)[O-])c1Cl ZINC001602949122 979334953 /nfs/dbraw/zinc/33/49/53/979334953.db2.gz AMDSAQIDRGHYKE-UHFFFAOYSA-N -1 0 223.659 2.473 20 30 BEEDRM N#Cc1ccc(-c2ccc(C(=O)[O-])cc2)nc1F ZINC001236057104 979347679 /nfs/dbraw/zinc/34/76/79/979347679.db2.gz PWSHSONEYDOLCI-UHFFFAOYSA-N -1 0 242.209 2.458 20 30 BEEDRM C/C(=C/CN1CCCC(C)(C)[C@@H]1C#N)C(=O)[O-] ZINC001602962002 979347976 /nfs/dbraw/zinc/34/79/76/979347976.db2.gz BRPHPAQHPBVLPP-VQNWOSHQSA-N -1 0 236.315 2.031 20 30 BEEDRM N#Cc1ncc(-c2ccc(C(=O)[O-])cc2)cc1F ZINC001236061188 979354936 /nfs/dbraw/zinc/35/49/36/979354936.db2.gz SOTXEKRALYOTAD-UHFFFAOYSA-N -1 0 242.209 2.458 20 30 BEEDRM C[C@@H](C#N)N(Cc1ccc(C(=O)[O-])cc1)C1CC1 ZINC001603132357 979384374 /nfs/dbraw/zinc/38/43/74/979384374.db2.gz XXMHNBBBWUBHAY-JTQLQIEISA-N -1 0 244.294 2.261 20 30 BEEDRM CC(C)(CC/N=C\c1ccccc1O)C(=O)[O-] ZINC001603599277 979486820 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/nfs/dbraw/zinc/00/98/25/981009825.db2.gz GCTQORWFVGRMNQ-LURJTMIESA-N -1 0 225.210 2.197 20 30 BEEDRM CC/C=C\CNc1ccc(C(=O)[O-])nc1C#N ZINC001595521499 981341206 /nfs/dbraw/zinc/34/12/06/981341206.db2.gz YKJNKMRWFIKVDW-ARJAWSKDSA-N -1 0 231.255 2.030 20 30 BEEDRM CC(C)(NC(=O)c1cccc(C#N)c1[O-])C1CC1 ZINC001193653234 981397660 /nfs/dbraw/zinc/39/76/60/981397660.db2.gz WESVEALLWUBJGN-UHFFFAOYSA-N -1 0 244.294 2.182 20 30 BEEDRM C=CCOC(=O)N=c1[n-]sc2ncccc21 ZINC001194289899 981694810 /nfs/dbraw/zinc/69/48/10/981694810.db2.gz SBYPIIKMNHRJFV-UHFFFAOYSA-N -1 0 235.268 2.426 20 30 BEEDRM C=CCC(C)(C)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001588452532 981777249 /nfs/dbraw/zinc/77/72/49/981777249.db2.gz DHKXLBAUTNGRLF-UHFFFAOYSA-N -1 0 248.282 2.321 20 30 BEEDRM C=C(C)c1c(C)nc([O-])n([C@@H](C)CC)c1=O ZINC001240838041 981881398 /nfs/dbraw/zinc/88/13/98/981881398.db2.gz OCLDZYFNHGINMG-QMMMGPOBSA-N -1 0 222.288 2.261 20 30 BEEDRM N#Cc1cccc(-c2ccc(C(=O)[O-])s2)n1 ZINC001240844573 981884417 /nfs/dbraw/zinc/88/44/17/981884417.db2.gz WCKJUFIHVQVDCC-UHFFFAOYSA-N -1 0 230.248 2.380 20 30 BEEDRM CCCC[C@H](SCCO[C@@H](C)C#N)C(=O)[O-] ZINC001595655745 982047210 /nfs/dbraw/zinc/04/72/10/982047210.db2.gz OVBOVLXWBWXXIR-UWVGGRQHSA-N -1 0 245.344 2.292 20 30 BEEDRM N#Cc1cc(-c2ccc(CC(=O)[O-])cc2)ccn1 ZINC001240973789 982049872 /nfs/dbraw/zinc/04/98/72/982049872.db2.gz RFMCWUVEJOWNBZ-UHFFFAOYSA-N -1 0 238.246 2.247 20 30 BEEDRM Cc1cc(C#N)nc(-c2ccccc2[O-])n1 ZINC001241003667 982089976 /nfs/dbraw/zinc/08/99/76/982089976.db2.gz RZYHEDBDGRBMSN-UHFFFAOYSA-N -1 0 211.224 2.029 20 30 BEEDRM COc1ccc(C#N)c(-c2ccccc2[O-])n1 ZINC001241023440 982117827 /nfs/dbraw/zinc/11/78/27/982117827.db2.gz QZJYWOZVUKYCRL-UHFFFAOYSA-N -1 0 226.235 2.334 20 30 BEEDRM C#CCN(CC(=O)[O-])Cc1ccc(CCC)cc1 ZINC001588424090 982194041 /nfs/dbraw/zinc/19/40/41/982194041.db2.gz JNQNMTBKVAGDGG-UHFFFAOYSA-N -1 0 245.322 2.159 20 30 BEEDRM C#CCCCC(=O)Nc1sccc1C(=O)[O-] ZINC001588440253 982207668 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982219698 /nfs/dbraw/zinc/21/96/98/982219698.db2.gz SDMHVZPGZUXIRR-UHFFFAOYSA-N -1 0 249.266 2.241 20 30 BEEDRM C=CCCCCOC(=O)c1ccc(C(=O)[O-])nc1 ZINC001588458128 982236150 /nfs/dbraw/zinc/23/61/50/982236150.db2.gz KOGXWCDIUOMNKI-UHFFFAOYSA-N -1 0 249.266 2.293 20 30 BEEDRM N#Cc1cnccc1-c1ccc(F)c(C(=O)[O-])c1 ZINC001241245834 982389159 /nfs/dbraw/zinc/38/91/59/982389159.db2.gz QPGVTKHIMWNVES-UHFFFAOYSA-N -1 0 242.209 2.458 20 30 BEEDRM CCc1nc(C#N)cc(-c2cc([O-])cc(F)c2)n1 ZINC001241267534 982402840 /nfs/dbraw/zinc/40/28/40/982402840.db2.gz YEFIVBGUBMSZIK-UHFFFAOYSA-N -1 0 243.241 2.422 20 30 BEEDRM C[C@]1(C(=O)[O-])CCN([C@H](C#N)c2ccccc2)C1 ZINC001589196590 982663037 /nfs/dbraw/zinc/66/30/37/982663037.db2.gz ZKDPNPGHEXANDL-OCCSQVGLSA-N -1 0 244.294 2.048 20 30 BEEDRM CC[C@H](C)C[C@H](Nc1cccc(C#N)n1)C(=O)[O-] ZINC001594952352 982667723 /nfs/dbraw/zinc/66/77/23/982667723.db2.gz IBFMAYHKQHTQPT-ONGXEEELSA-N -1 0 247.298 2.255 20 30 BEEDRM C=C(C)CONC(=O)c1cccc(Cl)c1[O-] ZINC001300219349 982748023 /nfs/dbraw/zinc/74/80/23/982748023.db2.gz BSRULYDBECRWKW-UHFFFAOYSA-N -1 0 241.674 2.283 20 30 BEEDRM C=CS(=O)(=O)[N-]c1sc(C)c(C)c1C#N ZINC001198566213 982755233 /nfs/dbraw/zinc/75/52/33/982755233.db2.gz CEEZCZUIXFHFEW-UHFFFAOYSA-N -1 0 242.325 2.122 20 30 BEEDRM CC[C@H]1CC[C@H](C)CC1=NNCCC(=O)[O-] ZINC001589618533 982847481 /nfs/dbraw/zinc/84/74/81/982847481.db2.gz SJOBCQUIYPGQMC-UWVGGRQHSA-N -1 0 226.320 2.253 20 30 BEEDRM N#Cc1ccc(NC(=O)C2=CC=CC2)c(O)c1 ZINC001199694390 982997454 /nfs/dbraw/zinc/99/74/54/982997454.db2.gz NDHQBFVLMRSAHZ-UHFFFAOYSA-N -1 0 226.235 2.089 20 30 BEEDRM O=C([O-])c1cncc(-c2ccccc2C=NO)c1 ZINC001241802896 983055888 /nfs/dbraw/zinc/05/58/88/983055888.db2.gz SGQJSDOKKIFWLD-UHFFFAOYSA-N -1 0 242.234 2.255 20 30 BEEDRM N#Cc1ccc(-c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC001241827850 983078356 /nfs/dbraw/zinc/07/83/56/983078356.db2.gz MEXLLPGGTQSDIV-UHFFFAOYSA-N -1 0 242.209 2.458 20 30 BEEDRM CC(C)ON=C1CCC(CC(=O)[O-])CC1 ZINC001591734178 983090507 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